N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C21H26N4O4S2 — CID 43055200

IUPACN-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)C1
InChIInChI=1S/C21H26N4O4S2/c1-14-3-2-10-25(12-14)31(28,29)18-8-6-16(7-9-18)22-19(26)11-17-13-30-21(23-17)24-20(27)15-4-5-15/h6-9,13-15H,2-5,10-12H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyFVPDANQSNBXQHT-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.09
Rot. Bonds7

About N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 43055200) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID43055200
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC NameN-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)C1
InChIInChI=1S/C21H26N4O4S2/c1-14-3-2-10-25(12-14)31(28,29)18-8-6-16(7-9-18)22-19(26)11-17-13-30-21(23-17)24-20(27)15-4-5-15/h6-9,13-15H,2-5,10-12H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyFVPDANQSNBXQHT-UHFFFAOYSA-N
XLogP3.09
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide 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

2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide
CID 94858116
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55798546
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16547474

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 43055200) is N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)C1.
What is the InChIKey of N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is FVPDANQSNBXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-14-3-2-10-25(12-14)31(28,29)18-8-6-16(7-9-18)22-19(26)11-17-13-30-21(23-17)24-20(27)15-4-5-15/h6-9,13-15H,2-5,10-12H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 43055200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).