2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide

C23H31N3O4S2 — CID 55962173

IUPAC2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O4S2/c1-4-15-32(29,30)26-12-9-19(10-13-26)24-22(28)20-11-14-31-23(20)25-21(27)18-7-5-17(6-8-18)16(2)3/h5-8,11,14,16,19H,4,9-10,12-13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyWKRJSMKNQSDMJD-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.06
Rot. Bonds8

About 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide

2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide (PubChem CID 55962173) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
PubChem CID55962173
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC Name2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O4S2/c1-4-15-32(29,30)26-12-9-19(10-13-26)24-22(28)20-11-14-31-23(20)25-21(27)18-7-5-17(6-8-18)16(2)3/h5-8,11,14,16,19H,4,9-10,12-13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyWKRJSMKNQSDMJD-UHFFFAOYSA-N
XLogP4.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-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

N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
2-[(4-propan-2-ylbenzoyl)amino]-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 119449720
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
CID 52822973
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide
CID 120655851
N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
CID 56575769
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide (CID 55962173) is 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
The InChIKey is WKRJSMKNQSDMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-4-15-32(29,30)26-12-9-19(10-13-26)24-22(28)20-11-14-31-23(20)25-21(27)18-7-5-17(6-8-18)16(2)3/h5-8,11,14,16,19H,4,9-10,12-13,15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide?
2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 55962173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).