(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C21H23N3O4 — CID 55940765

IUPAC(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H23N3O4/c1-13-6-9-15(22-19(25)14-7-8-14)12-16(13)23-20(26)17-4-2-10-24(17)21(27)18-5-3-11-28-18/h3,5-6,9,11-12,14,17H,2,4,7-8,10H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyDDWCCBHZKXEWFA-KRWDZBQOSA-N
MW381.43 g/mol
LogP3.18
Rot. Bonds5

About (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55940765) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55940765
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C21H23N3O4/c1-13-6-9-15(22-19(25)14-7-8-14)12-16(13)23-20(26)17-4-2-10-24(17)21(27)18-5-3-11-28-18/h3,5-6,9,11-12,14,17H,2,4,7-8,10H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyDDWCCBHZKXEWFA-KRWDZBQOSA-N
XLogP3.18
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 55940765) is (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is DDWCCBHZKXEWFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13-6-9-15(22-19(25)14-7-8-14)12-16(13)23-20(26)17-4-2-10-24(17)21(27)18-5-3-11-28-18/h3,5-6,9,11-12,14,17H,2,4,7-8,10H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55940765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).