N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

C23H31N3O4S — CID 43052309

IUPACN-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C
InChIInChI=1S/C23H31N3O4S/c1-13-12-20(8-9-21(13)25-19(7)27)26-22(28)10-11-24-31(29,30)23-17(5)15(3)14(2)16(4)18(23)6/h8-9,12,24H,10-11H2,1-7H3,(H,25,27)(H,26,28)
InChIKeyDSWBCVVLMSSBGG-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.80
Rot. Bonds7

About N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (PubChem CID 43052309) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
PubChem CID43052309
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C
InChIInChI=1S/C23H31N3O4S/c1-13-12-20(8-9-21(13)25-19(7)27)26-22(28)10-11-24-31(29,30)23-17(5)15(3)14(2)16(4)18(23)6/h8-9,12,24H,10-11H2,1-7H3,(H,25,27)(H,26,28)
InChIKeyDSWBCVVLMSSBGG-UHFFFAOYSA-N
XLogP3.80
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119516505
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (CID 43052309) is N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The InChIKey is DSWBCVVLMSSBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-13-12-20(8-9-21(13)25-19(7)27)26-22(28)10-11-24-31(29,30)23-17(5)15(3)14(2)16(4)18(23)6/h8-9,12,24H,10-11H2,1-7H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide has a molecular weight of 445.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43052309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).