2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C25H27N3O3S — CID 24562475

IUPAC2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Nc1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-17(26-23-14-9-19-8-7-18-5-4-6-22(23)24(18)19)25(29)27-20-10-12-21(13-11-20)32(30,31)28-15-2-3-16-28/h4-6,9-14,17,26H,2-3,7-8,15-16H2,1H3,(H,27,29)
InChIKeyFFHUTIYYDWKKHD-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.16
Rot. Bonds6

About 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24562475) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID24562475
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Nc1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-17(26-23-14-9-19-8-7-18-5-4-6-22(23)24(18)19)25(29)27-20-10-12-21(13-11-20)32(30,31)28-15-2-3-16-28/h4-6,9-14,17,26H,2-3,7-8,15-16H2,1H3,(H,27,29)
InChIKeyFFHUTIYYDWKKHD-UHFFFAOYSA-N
XLogP4.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4534840
2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17446764
(2S)-2-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41157437
(2S)-2-(2-ethoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7509820
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55571603
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100517901
2-[1-(2-chlorophenyl)ethylamino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55352204
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 24611640

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 24562475) is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CC(Nc1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is FFHUTIYYDWKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-17(26-23-14-9-19-8-7-18-5-4-6-22(23)24(18)19)25(29)27-20-10-12-21(13-11-20)32(30,31)28-15-2-3-16-28/h4-6,9-14,17,26H,2-3,7-8,15-16H2,1H3,(H,27,29).
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 449.58 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24562475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).