(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide

C19H25N3O2S — CID 9126245

IUPAC(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
SMILESCC(C)Cc1ccc([C@H](N[C@H](C)C(=O)NC(N)=O)c2cccs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-12(2)11-14-6-8-15(9-7-14)17(16-5-4-10-25-16)21-13(3)18(23)22-19(20)24/h4-10,12-13,17,21H,11H2,1-3H3,(H3,20,22,23,24)/t13-,17+/m1/s1
InChIKeyQTRXQWHLVQCVTK-DYVFJYSZSA-N
MW359.50 g/mol
LogP3.21
Rot. Bonds7

About (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide

(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide (PubChem CID 9126245) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
PubChem CID9126245
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
SMILESCC(C)Cc1ccc([C@H](N[C@H](C)C(=O)NC(N)=O)c2cccs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-12(2)11-14-6-8-15(9-7-14)17(16-5-4-10-25-16)21-13(3)18(23)22-19(20)24/h4-10,12-13,17,21H,11H2,1-3H3,(H3,20,22,23,24)/t13-,17+/m1/s1
InChIKeyQTRXQWHLVQCVTK-DYVFJYSZSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-carbamoyl-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769401
(2R)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769399
(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
CID 8769458
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
CID 9136375
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126196
N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide
CID 9126293
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126324
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide (CID 9126245) is (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide is CC(C)Cc1ccc([C@H](N[C@H](C)C(=O)NC(N)=O)c2cccs2)cc1.
What is the InChIKey of (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide?
The InChIKey is QTRXQWHLVQCVTK-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12(2)11-14-6-8-15(9-7-14)17(16-5-4-10-25-16)21-13(3)18(23)22-19(20)24/h4-10,12-13,17,21H,11H2,1-3H3,(H3,20,22,23,24)/t13-,17+/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide?
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide is sourced from PubChem (CID 9126245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).