N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide

C20H23N3O5S — CID 122175155

IUPACN-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-16-5-2-14(3-6-16)13-21-19(24)10-11-22-29(26,27)17-7-8-18-15(12-17)4-9-20(25)23-18/h2-3,5-8,12,22H,4,9-11,13H2,1H3,(H,21,24)(H,23,25)
InChIKeyYAVCNTBPKRULMV-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.56
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide

N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide (PubChem CID 122175155) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
PubChem CID122175155
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H23N3O5S/c1-28-16-5-2-14(3-6-16)13-21-19(24)10-11-22-29(26,27)17-7-8-18-15(12-17)4-9-20(25)23-18/h2-3,5-8,12,22H,4,9-11,13H2,1H3,(H,21,24)(H,23,25)
InChIKeyYAVCNTBPKRULMV-UHFFFAOYSA-N
XLogP1.56
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3240670
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46254045
N-[2-(4-methylphenyl)ethyl]-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 46282286
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45106746
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111182136

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide (CID 122175155) is N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide is COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide?
The InChIKey is YAVCNTBPKRULMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-28-16-5-2-14(3-6-16)13-21-19(24)10-11-22-29(26,27)17-7-8-18-15(12-17)4-9-20(25)23-18/h2-3,5-8,12,22H,4,9-11,13H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide?
N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide has a molecular weight of 417.49 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide is sourced from PubChem (CID 122175155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).