(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide

C21H25N3O7S — CID 55944114

IUPAC(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H25N3O7S/c1-29-18-7-6-15(32(27,28)23-9-12-30-13-10-23)14-16(18)22-20(25)17-4-2-8-24(17)21(26)19-5-3-11-31-19/h3,5-7,11,14,17H,2,4,8-10,12-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyRGJSEQRTLCMQDS-KRWDZBQOSA-N
MW463.51 g/mol
LogP1.55
Rot. Bonds6

About (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 55944114) has the molecular formula C21H25N3O7S and a molecular weight of 463.51 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID55944114
Molecular FormulaC21H25N3O7S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H25N3O7S/c1-29-18-7-6-15(32(27,28)23-9-12-30-13-10-23)14-16(18)22-20(25)17-4-2-8-24(17)21(26)19-5-3-11-31-19/h3,5-7,11,14,17H,2,4,8-10,12-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyRGJSEQRTLCMQDS-KRWDZBQOSA-N
XLogP1.55
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55374539
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168051
(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 8746747
(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24582300
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 55944114) is (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RGJSEQRTLCMQDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N3O7S/c1-29-18-7-6-15(32(27,28)23-9-12-30-13-10-23)14-16(18)22-20(25)17-4-2-8-24(17)21(26)19-5-3-11-31-19/h3,5-7,11,14,17H,2,4,8-10,12-13H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55944114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).