(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C20H24N2O3S — CID 94473764

IUPAC(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C20H24N2O3S/c1-14-6-3-7-16(12-14)25-13-15(2)21-19(23)17-8-4-10-22(17)20(24)18-9-5-11-26-18/h3,5-7,9,11-12,15,17H,4,8,10,13H2,1-2H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyCNXTYWOQPRGZJX-RDJZCZTQSA-N
MW372.49 g/mol
LogP3.24
Rot. Bonds6

About (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 94473764) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID94473764
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C20H24N2O3S/c1-14-6-3-7-16(12-14)25-13-15(2)21-19(23)17-8-4-10-22(17)20(24)18-9-5-11-26-18/h3,5-7,9,11-12,15,17H,4,8,10,13H2,1-2H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyCNXTYWOQPRGZJX-RDJZCZTQSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052
(2R)-4-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119364822
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112827070
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2S)-1-(thiophene-2-carbonyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 55940988
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78879741
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 94473764) is (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is Cc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1.
What is the InChIKey of (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CNXTYWOQPRGZJX-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-6-3-7-16(12-14)25-13-15(2)21-19(23)17-8-4-10-22(17)20(24)18-9-5-11-26-18/h3,5-7,9,11-12,15,17H,4,8,10,13H2,1-2H3,(H,21,23)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94473764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).