(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

C20H27N3O5S — CID 92698413

IUPAC(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCN2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C20H27N3O5S/c1-16-4-6-17(7-5-16)29(25,26)22-18(19-3-2-12-28-19)15-20(24)21-8-9-23-10-13-27-14-11-23/h2-7,12,18,22H,8-11,13-15H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyVAKWELDSUKNFFH-SFHVURJKSA-N
MW421.52 g/mol
LogP1.45
Rot. Bonds9

About (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 92698413) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID92698413
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCN2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C20H27N3O5S/c1-16-4-6-17(7-5-16)29(25,26)22-18(19-3-2-12-28-19)15-20(24)21-8-9-23-10-13-27-14-11-23/h2-7,12,18,22H,8-11,13-15H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyVAKWELDSUKNFFH-SFHVURJKSA-N
XLogP1.45
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (CID 92698413) is (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCN2CCOCC2)c2ccco2)cc1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is VAKWELDSUKNFFH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-16-4-6-17(7-5-16)29(25,26)22-18(19-3-2-12-28-19)15-20(24)21-8-9-23-10-13-27-14-11-23/h2-7,12,18,22H,8-11,13-15H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 421.52 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 92698413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).