5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide

C15H16ClNO3S — CID 122158938

IUPAC5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(CO)CC(O)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO3S/c16-14-7-6-13(21-14)15(20)17-11(9-18)8-12(19)10-4-2-1-3-5-10/h1-7,11-12,18-19H,8-9H2,(H,17,20)
InChIKeyLXXKADDSYJDGQA-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide

5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 122158938) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
PubChem CID122158938
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(CO)CC(O)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO3S/c16-14-7-6-13(21-14)15(20)17-11(9-18)8-12(19)10-4-2-1-3-5-10/h1-7,11-12,18-19H,8-9H2,(H,17,20)
InChIKeyLXXKADDSYJDGQA-UHFFFAOYSA-N
XLogP2.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124721703
5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
CID 137372987
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide (CID 122158938) is 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide is O=C(NC(CO)CC(O)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is LXXKADDSYJDGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c16-14-7-6-13(21-14)15(20)17-11(9-18)8-12(19)10-4-2-1-3-5-10/h1-7,11-12,18-19H,8-9H2,(H,17,20).
What are the key properties of 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide?
5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 122158938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).