N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide

C40H34N2O4S5 — CID 132562198

IUPACN-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(-c3ccc(-c4ccc(N(Cc5ccccc5)S(=O)(=O)c5ccc(C)cc5)s4)s3)s2)cc1
InChIInChI=1S/C40H34N2O4S5/c1-29-13-17-33(18-14-29)50(43,44)41(27-31-9-5-3-6-10-31)39-25-23-37(48-39)35-21-22-36(47-35)38-24-26-40(49-38)42(28-32-11-7-4-8-12-32)51(45,46)34-19-15-30(2)16-20-34/h3-26H,27-28H2,1-2H3
InChIKeyDRCQWQMWUXGSOA-UHFFFAOYSA-N
MW767.06 g/mol
LogP10.61
Rot. Bonds12

About N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide

N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide (PubChem CID 132562198) has the molecular formula C40H34N2O4S5 and a molecular weight of 767.06 g/mol. Its IUPAC name is N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide
PubChem CID132562198
Molecular FormulaC40H34N2O4S5
Molecular Weight767.06 g/mol
Exact Mass766.11
IUPAC NameN-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(-c3ccc(-c4ccc(N(Cc5ccccc5)S(=O)(=O)c5ccc(C)cc5)s4)s3)s2)cc1
InChIInChI=1S/C40H34N2O4S5/c1-29-13-17-33(18-14-29)50(43,44)41(27-31-9-5-3-6-10-31)39-25-23-37(48-39)35-21-22-36(47-35)38-24-26-40(49-38)42(28-32-11-7-4-8-12-32)51(45,46)34-19-15-30(2)16-20-34/h3-26H,27-28H2,1-2H3
InChIKeyDRCQWQMWUXGSOA-UHFFFAOYSA-N
XLogP10.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.06
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide
CID 132549747
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 132849370
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-[4-[4-[benzenesulfonyl(benzyl)amino]-3-methylphenyl]-2-methylphenyl]-N-benzylbenzenesulfonamide
CID 118986827
(2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 11825728
N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891681

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide (CID 132562198) is N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(-c3ccc(-c4ccc(N(Cc5ccccc5)S(=O)(=O)c5ccc(C)cc5)s4)s3)s2)cc1.
What is the InChIKey of N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is DRCQWQMWUXGSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2O4S5/c1-29-13-17-33(18-14-29)50(43,44)41(27-31-9-5-3-6-10-31)39-25-23-37(48-39)35-21-22-36(47-35)38-24-26-40(49-38)42(28-32-11-7-4-8-12-32)51(45,46)34-19-15-30(2)16-20-34/h3-26H,27-28H2,1-2H3.
What are the key properties of N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide?
N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 767.06 g/mol, XLogP of 10.61, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132562198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).