N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide

C25H27N3O2S — CID 1440387

IUPACN-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)ccc1C
InChIInChI=1S/C25H27N3O2S/c1-4-23(29)27-21-13-20(9-8-15(21)2)26-24(30)14-31-25-16(3)10-19-11-17-6-5-7-18(17)12-22(19)28-25/h8-13H,4-7,14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyONPSZLOJTFWMJB-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.42
Rot. Bonds6

About N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide

N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide (PubChem CID 1440387) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
PubChem CID1440387
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)ccc1C
InChIInChI=1S/C25H27N3O2S/c1-4-23(29)27-21-13-20(9-8-15(21)2)26-24(30)14-31-25-16(3)10-19-11-17-6-5-7-18(17)12-22(19)28-25/h8-13H,4-7,14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyONPSZLOJTFWMJB-UHFFFAOYSA-N
XLogP5.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 1440378
N-[3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55720223
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1171958
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7906051
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362661
N-[2-methyl-5-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 1451070

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide (CID 1440387) is N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)ccc1C.
What is the InChIKey of N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
The InChIKey is ONPSZLOJTFWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-4-23(29)27-21-13-20(9-8-15(21)2)26-24(30)14-31-25-16(3)10-19-11-17-6-5-7-18(17)12-22(19)28-25/h8-13H,4-7,14H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide?
N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide has a molecular weight of 433.58 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 1440387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).