(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide

C11H18N4O2S — CID 9464638

IUPAC(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide
SMILESCCCn1ccnc1S[C@@H](C)C(=O)NC(=O)NC
InChIInChI=1S/C11H18N4O2S/c1-4-6-15-7-5-13-11(15)18-8(2)9(16)14-10(17)12-3/h5,7-8H,4,6H2,1-3H3,(H2,12,14,16,17)/t8-/m0/s1
InChIKeyHCPOHQFGJQPCJJ-QMMMGPOBSA-N
MW270.36 g/mol
LogP1.23
Rot. Bonds5

About (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide

(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide (PubChem CID 9464638) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide
PubChem CID9464638
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide
SMILESCCCn1ccnc1S[C@@H](C)C(=O)NC(=O)NC
InChIInChI=1S/C11H18N4O2S/c1-4-6-15-7-5-13-11(15)18-8(2)9(16)14-10(17)12-3/h5,7-8H,4,6H2,1-3H3,(H2,12,14,16,17)/t8-/m0/s1
InChIKeyHCPOHQFGJQPCJJ-QMMMGPOBSA-N
XLogP1.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 46688714
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261
(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665651
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide
CID 40730788
N-(methylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51141957
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 51329528
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 63313357
(2S)-2-[5-(4-bromophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 40656888
(2R)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7681702
N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 18085661
(2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 27429580
(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 40704918

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide (CID 9464638) is (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide is CCCn1ccnc1S[C@@H](C)C(=O)NC(=O)NC.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is HCPOHQFGJQPCJJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-4-6-15-7-5-13-11(15)18-8(2)9(16)14-10(17)12-3/h5,7-8H,4,6H2,1-3H3,(H2,12,14,16,17)/t8-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 270.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 9464638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).