5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide

C16H16ClNO2S — CID 97042595

IUPAC5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-5-13(21-14)15(19)18-10-16(20)8-7-11-3-1-2-4-12(11)9-16/h1-6,20H,7-10H2,(H,18,19)/t16-/m0/s1
InChIKeyFFOIMBCHDXMJDB-INIZCTEOSA-N
MW321.83 g/mol
LogP3.05
Rot. Bonds3

About 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 97042595) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
PubChem CID97042595
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-5-13(21-14)15(19)18-10-16(20)8-7-11-3-1-2-4-12(11)9-16/h1-6,20H,7-10H2,(H,18,19)/t16-/m0/s1
InChIKeyFFOIMBCHDXMJDB-INIZCTEOSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]thiophene-2-carboxamide
CID 146080055
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042608
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042609
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
(E)-3-(2-chlorophenyl)-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]prop-2-enamide
CID 97042622
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581292
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71803564

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide (CID 97042595) is 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is FFOIMBCHDXMJDB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-6-5-13(21-14)15(19)18-10-16(20)8-7-11-3-1-2-4-12(11)9-16/h1-6,20H,7-10H2,(H,18,19)/t16-/m0/s1.
What are the key properties of 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97042595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).