(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide

C11H17N3O2S — CID 94106356

IUPAC(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)[C@@H](C)NC(N)=O)s1
InChIInChI=1S/C11H17N3O2S/c1-3-8-4-5-9(17-8)6-13-10(15)7(2)14-11(12)16/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H3,12,14,16)/t7-/m1/s1
InChIKeyAZGQTIZZUREJNY-SSDOTTSWSA-N
MW255.34 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide

(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide (PubChem CID 94106356) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
PubChem CID94106356
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)[C@@H](C)NC(N)=O)s1
InChIInChI=1S/C11H17N3O2S/c1-3-8-4-5-9(17-8)6-13-10(15)7(2)14-11(12)16/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H3,12,14,16)/t7-/m1/s1
InChIKeyAZGQTIZZUREJNY-SSDOTTSWSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
2-[2-[[2-(carbamoylamino)propanoylamino]methyl]phenyl]acetic acid
CID 81317551
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide (CID 94106356) is (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide is CCc1ccc(CNC(=O)[C@@H](C)NC(N)=O)s1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
The InChIKey is AZGQTIZZUREJNY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-8-4-5-9(17-8)6-13-10(15)7(2)14-11(12)16/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H3,12,14,16)/t7-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide has a molecular weight of 255.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 94106356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).