4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide

C17H25N3O4S2 — CID 131910809

IUPAC4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(CNC(=O)C3CCC3)C2)cs1
InChIInChI=1S/C17H25N3O4S2/c1-18-17(22)15-8-14(11-25-15)26(23,24)20-7-3-4-12(10-20)9-19-16(21)13-5-2-6-13/h8,11-13H,2-7,9-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyZKOWRVKPWATYKR-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.42
Rot. Bonds6

About 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide

4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide (PubChem CID 131910809) has the molecular formula C17H25N3O4S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide
PubChem CID131910809
Molecular FormulaC17H25N3O4S2
Molecular Weight399.54 g/mol
Exact Mass399.13
IUPAC Name4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(CNC(=O)C3CCC3)C2)cs1
InChIInChI=1S/C17H25N3O4S2/c1-18-17(22)15-8-14(11-25-15)26(23,24)20-7-3-4-12(10-20)9-19-16(21)13-5-2-6-13/h8,11-13H,2-7,9-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyZKOWRVKPWATYKR-UHFFFAOYSA-N
XLogP1.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide 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

methyl 4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119971268
N-[[1-(4-aminophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173135990
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 58702055
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
CID 58702063
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482039
[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 61300187
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide (CID 131910809) is 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCCC(CNC(=O)C3CCC3)C2)cs1.
What is the InChIKey of 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide?
The InChIKey is ZKOWRVKPWATYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S2/c1-18-17(22)15-8-14(11-25-15)26(23,24)20-7-3-4-12(10-20)9-19-16(21)13-5-2-6-13/h8,11-13H,2-7,9-10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide?
4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 131910809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).