(2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide

C15H17N3O2S — CID 8863294

IUPAC(2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C15H17N3O2S/c1-10(14(19)18-15(16)20)17-13(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-10,13,17H,1H3,(H3,16,18,19,20)/t10-,13-/m0/s1
InChIKeyCKIORXZZYXZKGS-GWCFXTLKSA-N
MW303.39 g/mol
LogP2.01
Rot. Bonds5

About (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide

(2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide (PubChem CID 8863294) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
PubChem CID8863294
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C15H17N3O2S/c1-10(14(19)18-15(16)20)17-13(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-10,13,17H,1H3,(H3,16,18,19,20)/t10-,13-/m0/s1
InChIKeyCKIORXZZYXZKGS-GWCFXTLKSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide (CID 8863294) is (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide is C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The InChIKey is CKIORXZZYXZKGS-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(14(19)18-15(16)20)17-13(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-10,13,17H,1H3,(H3,16,18,19,20)/t10-,13-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
(2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide has a molecular weight of 303.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 8863294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).