N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane

C41H58N6O8S4 — CID 160936209

IUPACN-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
SMILESC1CC1.Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)CCN(CCNS(=O)(=O)c2ccc(C)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C38H52N6O8S4.C3H6/c1-31-5-13-35(14-6-31)53(45,46)39-21-25-43(26-22-40-54(47,48)36-15-7-32(2)8-16-36)29-30-44(27-23-41-55(49,50)37-17-9-33(3)10-18-37)28-24-42-56(51,52)38-19-11-34(4)12-20-38;1-2-3-1/h5-20,39-42H,21-30H2,1-4H3;1-3H2
InChIKeySTXFRNBURNTFAS-UHFFFAOYSA-N
MW891.22 g/mol
LogP3.91
Rot. Bonds23

About N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane

N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane (PubChem CID 160936209) has the molecular formula C41H58N6O8S4 and a molecular weight of 891.22 g/mol. Its IUPAC name is N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane.

Molecular Properties

Compound NameN-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
PubChem CID160936209
Molecular FormulaC41H58N6O8S4
Molecular Weight891.22 g/mol
Exact Mass890.32
IUPAC NameN-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
SMILESC1CC1.Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)CCN(CCNS(=O)(=O)c2ccc(C)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C38H52N6O8S4.C3H6/c1-31-5-13-35(14-6-31)53(45,46)39-21-25-43(26-22-40-54(47,48)36-15-7-32(2)8-16-36)29-30-44(27-23-41-55(49,50)37-17-9-33(3)10-18-37)28-24-42-56(51,52)38-19-11-34(4)12-20-38;1-2-3-1/h5-20,39-42H,21-30H2,1-4H3;1-3H2
InChIKeySTXFRNBURNTFAS-UHFFFAOYSA-N
XLogP3.91
TPSA191.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500891.22
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane with MolForge

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Related Compounds

N-[2-[2-aminoethyl-[2-[bis[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 88938847
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8823973
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane?
The IUPAC name of N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane (CID 160936209) is N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane.
What is the SMILES notation for N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane?
The canonical SMILES for N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane is C1CC1.Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)CCN(CCNS(=O)(=O)c2ccc(C)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane?
The InChIKey is STXFRNBURNTFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52N6O8S4.C3H6/c1-31-5-13-35(14-6-31)53(45,46)39-21-25-43(26-22-40-54(47,48)36-15-7-32(2)8-16-36)29-30-44(27-23-41-55(49,50)37-17-9-33(3)10-18-37)28-24-42-56(51,52)38-19-11-34(4)12-20-38;1-2-3-1/h5-20,39-42H,21-30H2,1-4H3;1-3H2.
What are the key properties of N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane?
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane has a molecular weight of 891.22 g/mol, XLogP of 3.91, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane is sourced from PubChem (CID 160936209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).