(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide

C16H25N3O2S — CID 95156252

IUPAC(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)C1CC1
InChIInChI=1S/C16H25N3O2S/c1-11(2)7-8-19(12-5-6-12)15(20)10-13(18-16(17)21)14-4-3-9-22-14/h3-4,9,11-13H,5-8,10H2,1-2H3,(H3,17,18,21)/t13-/m0/s1
InChIKeyDYUCDDWRAOCEBL-ZDUSSCGKSA-N
MW323.46 g/mol
LogP2.88
Rot. Bonds8

About (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide

(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide (PubChem CID 95156252) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
PubChem CID95156252
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)C1CC1
InChIInChI=1S/C16H25N3O2S/c1-11(2)7-8-19(12-5-6-12)15(20)10-13(18-16(17)21)14-4-3-9-22-14/h3-4,9,11-13H,5-8,10H2,1-2H3,(H3,17,18,21)/t13-/m0/s1
InChIKeyDYUCDDWRAOCEBL-ZDUSSCGKSA-N
XLogP2.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
CID 119443018
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925
3-(carbamoylamino)-N-[1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 42931334
N-[2-(tert-butylamino)-2-oxoethyl]-3-(carbamoylamino)-N-methyl-3-thiophen-2-ylpropanamide
CID 86915677
[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 55931831
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide (CID 95156252) is (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide is CC(C)CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)C1CC1.
What is the InChIKey of (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide?
The InChIKey is DYUCDDWRAOCEBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(2)7-8-19(12-5-6-12)15(20)10-13(18-16(17)21)14-4-3-9-22-14/h3-4,9,11-13H,5-8,10H2,1-2H3,(H3,17,18,21)/t13-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide?
(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 95156252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).