2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

C12H19N3O2S — CID 47165293

IUPAC2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccsc1CNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)10(15-12(13)17)11(16)14-6-9-8(3)4-5-18-9/h4-5,7,10H,6H2,1-3H3,(H,14,16)(H3,13,15,17)
InChIKeyXUGTVUYQNNMWCU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.37
Rot. Bonds5

About 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 47165293) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID47165293
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccsc1CNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)10(15-12(13)17)11(16)14-6-9-8(3)4-5-18-9/h4-5,7,10H,6H2,1-3H3,(H,14,16)(H3,13,15,17)
InChIKeyXUGTVUYQNNMWCU-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-valinate
CID 663465
N-[(thiophen-2-ylmethyl)carbamoyl]-L-valine
CID 664365
(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide
CID 71457623
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16386420
N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4104414
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 47165293) is 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is Cc1ccsc1CNC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is XUGTVUYQNNMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)10(15-12(13)17)11(16)14-6-9-8(3)4-5-18-9/h4-5,7,10H,6H2,1-3H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 269.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 47165293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).