2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide

C10H14ClNOS — CID 110767654

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)6-12-10(13)5-8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyFDBQHYIHNBUNSK-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.72
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide

2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide (PubChem CID 110767654) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
PubChem CID110767654
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)6-12-10(13)5-8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyFDBQHYIHNBUNSK-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65368095
(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
CID 98015763
2-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767662
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 110486765
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
1-(5-chlorothiophen-2-yl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 65138405
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110767682
3-(aminomethyl)-1-(5-chlorothiophen-2-yl)-5-methylhexan-2-one
CID 116597969
ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 124854439
2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447118

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide (CID 110767654) is 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is FDBQHYIHNBUNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-7(2)6-12-10(13)5-8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 231.75 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 110767654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).