2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide

C13H16ClNO3S — CID 66137037

IUPAC2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
SMILESCC(CCO)SCC(=O)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3S/c1-9(6-7-16)19-8-12(17)15-13(18)10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H,15,17,18)
InChIKeyTUTLIEPCXZHYBP-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.10
Rot. Bonds6

About 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide

2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide (PubChem CID 66137037) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
PubChem CID66137037
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Name2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
SMILESCC(CCO)SCC(=O)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3S/c1-9(6-7-16)19-8-12(17)15-13(18)10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H,15,17,18)
InChIKeyTUTLIEPCXZHYBP-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 66138378
4-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 66139273
N-[2-(3-aminobutylsulfanyl)acetyl]-2-chlorobenzamide
CID 66234412
N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]-1-methylpyrrole-2-carboxamide
CID 66135920
(2R)-2-amino-3-[2-[(2-chlorobenzoyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61145815
methyl N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]carbamate
CID 66135934
2-(4-hydroxybutan-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 66135892
2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 65418587
1-(2-bromophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)ethanone
CID 66138161
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
3-(2-benzamido-2-oxoethyl)sulfanylbutanoic acid
CID 66138071
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide (CID 66137037) is 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide is CC(CCO)SCC(=O)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide?
The InChIKey is TUTLIEPCXZHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-9(6-7-16)19-8-12(17)15-13(18)10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H,15,17,18).
What are the key properties of 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide?
2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide has a molecular weight of 301.79 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 66137037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).