N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide

C25H34N4O4S — CID 3245121

IUPACN-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCCCN(CCC)CCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C25H34N4O4S/c1-3-15-29(16-4-2)17-14-26-25(31)24(19-8-6-5-7-9-19)28-34(32,33)21-11-12-22-20(18-21)10-13-23(30)27-22/h5-9,11-12,18,24,28H,3-4,10,13-17H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRXGAAKBVAQXHBF-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.83
Rot. Bonds12

About N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide

N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (PubChem CID 3245121) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
PubChem CID3245121
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCCCN(CCC)CCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C25H34N4O4S/c1-3-15-29(16-4-2)17-14-26-25(31)24(19-8-6-5-7-9-19)28-34(32,33)21-11-12-22-20(18-21)10-13-23(30)27-22/h5-9,11-12,18,24,28H,3-4,10,13-17H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRXGAAKBVAQXHBF-UHFFFAOYSA-N
XLogP2.83
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (CID 3245121) is N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is CCCN(CCC)CCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The InChIKey is RXGAAKBVAQXHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-3-15-29(16-4-2)17-14-26-25(31)24(19-8-6-5-7-9-19)28-34(32,33)21-11-12-22-20(18-21)10-13-23(30)27-22/h5-9,11-12,18,24,28H,3-4,10,13-17H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide has a molecular weight of 486.64 g/mol, XLogP of 2.83, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 3245121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).