N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide

C19H16ClN3O3S — CID 51508267

IUPACN-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
SMILESO=C(C[S@](=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-14-5-7-15(8-6-14)22-18(24)11-27(26)12-19(25)23-16-9-13-3-1-2-4-17(13)21-10-16/h1-10H,11-12H2,(H,22,24)(H,23,25)/t27-/m0/s1
InChIKeyGZVOBGFAOGEKOW-MHZLTWQESA-N
MW401.88 g/mol
LogP3.21
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide

N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide (PubChem CID 51508267) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
PubChem CID51508267
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
SMILESO=C(C[S@](=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-14-5-7-15(8-6-14)22-18(24)11-27(26)12-19(25)23-16-9-13-3-1-2-4-17(13)21-10-16/h1-10H,11-12H2,(H,22,24)(H,23,25)/t27-/m0/s1
InChIKeyGZVOBGFAOGEKOW-MHZLTWQESA-N
XLogP3.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
CID 32837503
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
CID 95169344
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
1-(4-chlorophenyl)-3-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-quinolin-3-ylcarbamimidoyl]urea
CID 135609969
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-quinolin-3-ylpropanamide
CID 18146539
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide (CID 51508267) is N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide is O=C(C[S@](=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide?
The InChIKey is GZVOBGFAOGEKOW-MHZLTWQESA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-14-5-7-15(8-6-14)22-18(24)11-27(26)12-19(25)23-16-9-13-3-1-2-4-17(13)21-10-16/h1-10H,11-12H2,(H,22,24)(H,23,25)/t27-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide?
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide has a molecular weight of 401.88 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide is sourced from PubChem (CID 51508267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).