N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C22H28N2O3S — CID 38253005

IUPACN-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N(Cc2ccccc2)C2CC2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-16-13-17(2)22(18(3)14-16)28(26,27)23-12-11-21(25)24(20-9-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,23H,9-12,15H2,1-3H3
InChIKeyZRHBDYPANKFFPA-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.47
Rot. Bonds8

About N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 38253005) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID38253005
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N(Cc2ccccc2)C2CC2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-16-13-17(2)22(18(3)14-16)28(26,27)23-12-11-21(25)24(20-9-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,23H,9-12,15H2,1-3H3
InChIKeyZRHBDYPANKFFPA-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119530760
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
2-methyl-2-[methyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120518710
N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 55516839
3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120516640
N-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 38175688
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31152189
phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978357
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26426569

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 38253005) is N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(Cc2ccccc2)C2CC2)c(C)c1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is ZRHBDYPANKFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-13-17(2)22(18(3)14-16)28(26,27)23-12-11-21(25)24(20-9-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20,23H,9-12,15H2,1-3H3.
What are the key properties of N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 400.54 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 38253005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).