(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide

C21H25N3O6S — CID 24582300

IUPAC(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H25N3O6S/c25-20(17-6-3-9-24(17)21(26)18-7-4-12-30-18)22-15-16-5-1-2-8-19(16)31(27,28)23-10-13-29-14-11-23/h1-2,4-5,7-8,12,17H,3,6,9-11,13-15H2,(H,22,25)/t17-/m0/s1
InChIKeyXHCHKLPJBWRQIW-KRWDZBQOSA-N
MW447.51 g/mol
LogP1.22
Rot. Bonds6

About (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 24582300) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID24582300
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H25N3O6S/c25-20(17-6-3-9-24(17)21(26)18-7-4-12-30-18)22-15-16-5-1-2-8-19(16)31(27,28)23-10-13-29-14-11-23/h1-2,4-5,7-8,12,17H,3,6,9-11,13-15H2,(H,22,25)/t17-/m0/s1
InChIKeyXHCHKLPJBWRQIW-KRWDZBQOSA-N
XLogP1.22
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 55975291
1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 55975411
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55374539
(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55944114
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide (CID 24582300) is (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XHCHKLPJBWRQIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N3O6S/c25-20(17-6-3-9-24(17)21(26)18-7-4-12-30-18)22-15-16-5-1-2-8-19(16)31(27,28)23-10-13-29-14-11-23/h1-2,4-5,7-8,12,17H,3,6,9-11,13-15H2,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).