(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C19H23N3O3S — CID 95238632

IUPAC(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C19H23N3O3S/c1-13(25-2)18(23)20-14-6-3-7-15(12-14)21-19(24)22-10-4-8-16(22)17-9-5-11-26-17/h3,5-7,9,11-13,16H,4,8,10H2,1-2H3,(H,20,23)(H,21,24)/t13-,16+/m0/s1
InChIKeyZVAQFCIENHIWPN-XJKSGUPXSA-N
MW373.48 g/mol
LogP4.09
Rot. Bonds5

About (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 95238632) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID95238632
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C19H23N3O3S/c1-13(25-2)18(23)20-14-6-3-7-15(12-14)21-19(24)22-10-4-8-16(22)17-9-5-11-26-17/h3,5-7,9,11-13,16H,4,8,10H2,1-2H3,(H,20,23)(H,21,24)/t13-,16+/m0/s1
InChIKeyZVAQFCIENHIWPN-XJKSGUPXSA-N
XLogP4.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
(2R)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 52766431
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 95238632) is (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1.
What is the InChIKey of (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ZVAQFCIENHIWPN-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(25-2)18(23)20-14-6-3-7-15(12-14)21-19(24)22-10-4-8-16(22)17-9-5-11-26-17/h3,5-7,9,11-13,16H,4,8,10H2,1-2H3,(H,20,23)(H,21,24)/t13-,16+/m0/s1.
What are the key properties of (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95238632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).