N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide

C14H23ClN2OS — CID 119599230

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCc1cc(Cl)cs1
InChIInChI=1S/C14H23ClN2OS/c1-10(2)7-14(3,9-16)17-13(18)5-4-12-6-11(15)8-19-12/h6,8,10H,4-5,7,9,16H2,1-3H3,(H,17,18)
InChIKeyQYGCRZNDZXTRDP-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.21
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide (PubChem CID 119599230) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide
PubChem CID119599230
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCc1cc(Cl)cs1
InChIInChI=1S/C14H23ClN2OS/c1-10(2)7-14(3,9-16)17-13(18)5-4-12-6-11(15)8-19-12/h6,8,10H,4-5,7,9,16H2,1-3H3,(H,17,18)
InChIKeyQYGCRZNDZXTRDP-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorothiophen-2-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 56792387
3-(5-chlorothiophen-2-yl)-N-((1r,4r)-4-(aminomethyl)cyclohexyl)propanamide hydrochloride
CID 154577733
3-(5-chlorothiophen-2-yl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 120108706
3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813638
3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813639
3-(4-Chlorothiophen-2-yl)-1-(6-fluoro-6-methyl-1,4-diazepan-1-yl)propan-1-one
CID 137991637
N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 154577734
3-(5-chlorothiophen-2-yl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 53508905
3-(5-chlorothiophen-2-yl)-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide
CID 53513099
(2S)-2-[[(2S)-2-[[2-amino-3-(5-chlorothiophen-2-yl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 58024189
(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
CID 70306782
(2S)-2-[[(2S)-2-[[3-(5-chlorothiophen-2-yl)-2-(methylamino)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 70866598

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide (CID 119599230) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide is CC(C)CC(C)(CN)NC(=O)CCc1cc(Cl)cs1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide?
The InChIKey is QYGCRZNDZXTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-10(2)7-14(3,9-16)17-13(18)5-4-12-6-11(15)8-19-12/h6,8,10H,4-5,7,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide has a molecular weight of 302.87 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119599230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).