N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide

C18H14ClNO2S — CID 50882577

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1cccs1
InChIInChI=1S/C18H14ClNO2S/c19-13-8-9-15(20-18(22)16-7-4-10-23-16)14(11-13)17(21)12-5-2-1-3-6-12/h1-11,17,21H,(H,20,22)
InChIKeyADKAIZBNNFWVTM-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.74
Rot. Bonds4

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 50882577) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID50882577
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1cccs1
InChIInChI=1S/C18H14ClNO2S/c19-13-8-9-15(20-18(22)16-7-4-10-23-16)14(11-13)17(21)12-5-2-1-3-6-12/h1-11,17,21H,(H,20,22)
InChIKeyADKAIZBNNFWVTM-UHFFFAOYSA-N
XLogP4.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
3,6-dichloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 50882585
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733477
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide (CID 50882577) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ADKAIZBNNFWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c19-13-8-9-15(20-18(22)16-7-4-10-23-16)14(11-13)17(21)12-5-2-1-3-6-12/h1-11,17,21H,(H,20,22).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 50882577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).