N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide

C21H20ClN3O4S — CID 60586066

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H20ClN3O4S/c22-17-8-7-15(13-20(17)30(28,29)25-10-3-4-11-25)23-21(27)14-24-12-9-19(26)16-5-1-2-6-18(16)24/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)
InChIKeyCOKQDQWOBKXFRT-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.08
Rot. Bonds5

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 60586066) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID60586066
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H20ClN3O4S/c22-17-8-7-15(13-20(17)30(28,29)25-10-3-4-11-25)23-21(27)14-24-12-9-19(26)16-5-1-2-6-18(16)24/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)
InChIKeyCOKQDQWOBKXFRT-UHFFFAOYSA-N
XLogP3.08
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
2-(4-oxoquinolin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 51126832
methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34038418
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CID 27929676
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8623314
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 112802201
N-[4-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 55364568
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669589
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55388279
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
N-[3-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide (CID 60586066) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is COKQDQWOBKXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-17-8-7-15(13-20(17)30(28,29)25-10-3-4-11-25)23-21(27)14-24-12-9-19(26)16-5-1-2-6-18(16)24/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 445.93 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 60586066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).