2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide

C18H20ClN3O3S — CID 119462858

IUPAC2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCC1CCCNC1)c1ccc(Cl)cc1O
InChIInChI=1S/C18H20ClN3O3S/c19-12-3-4-13(15(23)8-12)17(25)22-18-14(5-7-26-18)16(24)21-10-11-2-1-6-20-9-11/h3-5,7-8,11,20,23H,1-2,6,9-10H2,(H,21,24)(H,22,25)
InChIKeyKMBVWGBAZKVAKD-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.09
Rot. Bonds5

About 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide

2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 119462858) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
PubChem CID119462858
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCC1CCCNC1)c1ccc(Cl)cc1O
InChIInChI=1S/C18H20ClN3O3S/c19-12-3-4-13(15(23)8-12)17(25)22-18-14(5-7-26-18)16(24)21-10-11-2-1-6-20-9-11/h3-5,7-8,11,20,23H,1-2,6,9-10H2,(H,21,24)(H,22,25)
InChIKeyKMBVWGBAZKVAKD-UHFFFAOYSA-N
XLogP3.09
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462719
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
CID 119491528
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
2-iodo-4-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464595

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide (CID 119462858) is 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide is O=C(Nc1sccc1C(=O)NCC1CCCNC1)c1ccc(Cl)cc1O.
What is the InChIKey of 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is KMBVWGBAZKVAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-12-3-4-13(15(23)8-12)17(25)22-18-14(5-7-26-18)16(24)21-10-11-2-1-6-20-9-11/h3-5,7-8,11,20,23H,1-2,6,9-10H2,(H,21,24)(H,22,25).
What are the key properties of 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide?
2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.09, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-hydroxybenzoyl)amino]-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 119462858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).