N-propan-2-yl-3-thiophen-2-ylbutanamide

C11H17NOS — CID 175911006

IUPACN-propan-2-yl-3-thiophen-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)c1cccs1
InChIInChI=1S/C11H17NOS/c1-8(2)12-11(13)7-9(3)10-5-4-6-14-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)
InChIKeyLFMXYJMVFXVCOU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.77
Rot. Bonds4

About N-propan-2-yl-3-thiophen-2-ylbutanamide

N-propan-2-yl-3-thiophen-2-ylbutanamide (PubChem CID 175911006) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-propan-2-yl-3-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-thiophen-2-ylbutanamide
PubChem CID175911006
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-propan-2-yl-3-thiophen-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)c1cccs1
InChIInChI=1S/C11H17NOS/c1-8(2)12-11(13)7-9(3)10-5-4-6-14-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)
InChIKeyLFMXYJMVFXVCOU-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-3-thiophen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
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
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-thiophen-2-ylbutanamide?
The IUPAC name of N-propan-2-yl-3-thiophen-2-ylbutanamide (CID 175911006) is N-propan-2-yl-3-thiophen-2-ylbutanamide.
What is the SMILES notation for N-propan-2-yl-3-thiophen-2-ylbutanamide?
The canonical SMILES for N-propan-2-yl-3-thiophen-2-ylbutanamide is CC(C)NC(=O)CC(C)c1cccs1.
What is the InChIKey of N-propan-2-yl-3-thiophen-2-ylbutanamide?
The InChIKey is LFMXYJMVFXVCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)12-11(13)7-9(3)10-5-4-6-14-10/h4-6,8-9H,7H2,1-3H3,(H,12,13).
What are the key properties of N-propan-2-yl-3-thiophen-2-ylbutanamide?
N-propan-2-yl-3-thiophen-2-ylbutanamide has a molecular weight of 211.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-thiophen-2-ylbutanamide is sourced from PubChem (CID 175911006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).