[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium

C15H17ClN3O2S+ — CID 8787108

IUPAC[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Cl)s1)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O2S/c1-19(9-11-7-8-12(16)22-11)13(14(20)18-15(17)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H3,17,18,20,21)/p+1/t13-/m1/s1
InChIKeyJPNFNZRFQRJHNA-CYBMUJFWSA-O
MW338.84 g/mol
LogP1.35
Rot. Bonds5

About [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium (PubChem CID 8787108) has the molecular formula C15H17ClN3O2S+ and a molecular weight of 338.84 g/mol. Its IUPAC name is [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
PubChem CID8787108
Molecular FormulaC15H17ClN3O2S+
Molecular Weight338.84 g/mol
Exact Mass338.07
IUPAC Name[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Cl)s1)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O2S/c1-19(9-11-7-8-12(16)22-11)13(14(20)18-15(17)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H3,17,18,20,21)/p+1/t13-/m1/s1
InChIKeyJPNFNZRFQRJHNA-CYBMUJFWSA-O
XLogP1.35
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium with MolForge

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Related Compounds

(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8971597
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788774
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135659961
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
(5-chlorothiophen-2-yl)methyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9357564

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
The IUPAC name of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium (CID 8787108) is [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium.
What is the SMILES notation for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
The canonical SMILES for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium is C[NH+](Cc1ccc(Cl)s1)[C@@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
The InChIKey is JPNFNZRFQRJHNA-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H16ClN3O2S/c1-19(9-11-7-8-12(16)22-11)13(14(20)18-15(17)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H3,17,18,20,21)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium has a molecular weight of 338.84 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 8787108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).