N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C19H25N3O3S2 — CID 46592712

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C19H25N3O3S2/c1-12(2)10-16(22-27(24,25)15-8-4-13(3)5-9-15)18(23)21-19-20-17(11-26-19)14-6-7-14/h4-5,8-9,11-12,14,16,22H,6-7,10H2,1-3H3,(H,20,21,23)
InChIKeyIMZBQEWZFJLOSS-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.66
Rot. Bonds8

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 46592712) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID46592712
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C19H25N3O3S2/c1-12(2)10-16(22-27(24,25)15-8-4-13(3)5-9-15)18(23)21-19-20-17(11-26-19)14-6-7-14/h4-5,8-9,11-12,14,16,22H,6-7,10H2,1-3H3,(H,20,21,23)
InChIKeyIMZBQEWZFJLOSS-UHFFFAOYSA-N
XLogP3.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 155169077
N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 155168802
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 112760909
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 47739085
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51144065
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
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
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 30768113

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 46592712) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is IMZBQEWZFJLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-12(2)10-16(22-27(24,25)15-8-4-13(3)5-9-15)18(23)21-19-20-17(11-26-19)14-6-7-14/h4-5,8-9,11-12,14,16,22H,6-7,10H2,1-3H3,(H,20,21,23).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 407.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 46592712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).