N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide

C19H20N4O4S2 — CID 142188075

IUPACN-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H20N4O4S2/c1-29(26,27)21-16-17(13-5-2-3-6-14(13)20-18(16)24)22-8-10-23(11-9-22)19(25)15-7-4-12-28-15/h2-7,12,21H,8-11H2,1H3,(H,20,24)
InChIKeyMHADCGBIGCZNCH-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.92
Rot. Bonds4

About N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide

N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide (PubChem CID 142188075) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide
PubChem CID142188075
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H20N4O4S2/c1-29(26,27)21-16-17(13-5-2-3-6-14(13)20-18(16)24)22-8-10-23(11-9-22)19(25)15-7-4-12-28-15/h2-7,12,21H,8-11H2,1H3,(H,20,24)
InChIKeyMHADCGBIGCZNCH-UHFFFAOYSA-N
XLogP1.92
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848
2-oxo-1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinoline-3-carbonitrile;phenylboronic acid
CID 161053461
ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate
CID 59699606
4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide
CID 157103416
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(thiophen-2-yl)methanone
CID 44771350
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
3-amino-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 71166960
ethyl (5E,6E)-5-ethylidene-2-oxo-6-propylidene-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 143011125

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide?
The IUPAC name of N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide (CID 142188075) is N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide?
The InChIKey is MHADCGBIGCZNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-29(26,27)21-16-17(13-5-2-3-6-14(13)20-18(16)24)22-8-10-23(11-9-22)19(25)15-7-4-12-28-15/h2-7,12,21H,8-11H2,1H3,(H,20,24).
What are the key properties of N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide?
N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide is sourced from PubChem (CID 142188075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).