1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide

C20H21N3O5S2 — CID 55758321

IUPAC1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c2ccccc21
InChIInChI=1S/C20H21N3O5S2/c1-22-17-5-3-2-4-15(17)16(12-18(22)24)20(25)21-13-14-6-7-19(29-14)30(26,27)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyZJLBCIRLHRUSLP-UHFFFAOYSA-N
MW447.54 g/mol
LogP1.55
Rot. Bonds5

About 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide (PubChem CID 55758321) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
PubChem CID55758321
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC Name1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c2ccccc21
InChIInChI=1S/C20H21N3O5S2/c1-22-17-5-3-2-4-15(17)16(12-18(22)24)20(25)21-13-14-6-7-19(29-14)30(26,27)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyZJLBCIRLHRUSLP-UHFFFAOYSA-N
XLogP1.55
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 86904188
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 122558905
1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
CID 92625940
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide (CID 55758321) is 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is ZJLBCIRLHRUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-22-17-5-3-2-4-15(17)16(12-18(22)24)20(25)21-13-14-6-7-19(29-14)30(26,27)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55758321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).