2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide

C19H15ClN2OS — CID 39997996

IUPAC2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2OS/c20-15-10-8-14(9-11-15)17(13-5-2-1-3-6-13)24-19-16(18(21)23)7-4-12-22-19/h1-12,17H,(H2,21,23)/t17-/m1/s1
InChIKeyDMBHLVSHDKKEIU-QGZVFWFLSA-N
MW354.86 g/mol
LogP4.72
Rot. Bonds5

About 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide

2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide (PubChem CID 39997996) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
PubChem CID39997996
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2OS/c20-15-10-8-14(9-11-15)17(13-5-2-1-3-6-13)24-19-16(18(21)23)7-4-12-22-19/h1-12,17H,(H2,21,23)/t17-/m1/s1
InChIKeyDMBHLVSHDKKEIU-QGZVFWFLSA-N
XLogP4.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
CID 24707226
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
CID 31536570
2-benzhydrylsulfanyl-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 10551972
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 746135
2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62109131
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55377683
3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
CID 101472817
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773797

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide (CID 39997996) is 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide is NC(=O)c1cccnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is DMBHLVSHDKKEIU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-15-10-8-14(9-11-15)17(13-5-2-1-3-6-13)24-19-16(18(21)23)7-4-12-22-19/h1-12,17H,(H2,21,23)/t17-/m1/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide?
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 354.86 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 39997996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).