N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide

C22H29N3O4S — CID 55677311

IUPACN,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C22H29N3O4S/c1-14(2)13-20(25-30(28,29)17-11-9-15(3)10-12-17)22(27)24-19-8-6-7-18(16(19)4)21(26)23-5/h6-12,14,20,25H,13H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyPJIRBOBXWRJJLW-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.99
Rot. Bonds8

About N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide

N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide (PubChem CID 55677311) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
PubChem CID55677311
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C22H29N3O4S/c1-14(2)13-20(25-30(28,29)17-11-9-15(3)10-12-17)22(27)24-19-8-6-7-18(16(19)4)21(26)23-5/h6-12,14,20,25H,13H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyPJIRBOBXWRJJLW-UHFFFAOYSA-N
XLogP2.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 7973013
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
CID 9411090
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
The IUPAC name of N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide (CID 55677311) is N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
The InChIKey is PJIRBOBXWRJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-14(2)13-20(25-30(28,29)17-11-9-15(3)10-12-17)22(27)24-19-8-6-7-18(16(19)4)21(26)23-5/h6-12,14,20,25H,13H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide is sourced from PubChem (CID 55677311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).