2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride

C14H20ClNO4S — CID 65454499

IUPAC2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(C)ccc1S(=O)(=O)Cl)C(C)COC
InChIInChI=1S/C14H20ClNO4S/c1-5-16(11(3)9-20-4)14(17)12-8-10(2)6-7-13(12)21(15,18)19/h6-8,11H,5,9H2,1-4H3
InChIKeyZDVRYTMWCNKHIY-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.42
Rot. Bonds6

About 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride

2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride (PubChem CID 65454499) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride
PubChem CID65454499
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(C)ccc1S(=O)(=O)Cl)C(C)COC
InChIInChI=1S/C14H20ClNO4S/c1-5-16(11(3)9-20-4)14(17)12-8-10(2)6-7-13(12)21(15,18)19/h6-8,11H,5,9H2,1-4H3
InChIKeyZDVRYTMWCNKHIY-UHFFFAOYSA-N
XLogP2.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,4-dimethylbenzamide
CID 102705204
2-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylbenzamide
CID 62508733
N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069302
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
CID 107026683
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
4-methyl-2-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65453932
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 82891061
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370308

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride (CID 65454499) is 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride is CCN(C(=O)c1cc(C)ccc1S(=O)(=O)Cl)C(C)COC.
What is the InChIKey of 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride?
The InChIKey is ZDVRYTMWCNKHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-5-16(11(3)9-20-4)14(17)12-8-10(2)6-7-13(12)21(15,18)19/h6-8,11H,5,9H2,1-4H3.
What are the key properties of 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride?
2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).