4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide

C15H21ClN2O4S — CID 86998308

IUPAC4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
SMILESCC(C)CS(=O)(=O)CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-10(2)8-23(21,22)9-14(19)17-13-7-11(5-6-12(13)16)15(20)18(3)4/h5-7,10H,8-9H2,1-4H3,(H,17,19)
InChIKeyMGAKJLTWUFJQLG-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.05
Rot. Bonds6

About 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide

4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide (PubChem CID 86998308) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
PubChem CID86998308
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
SMILESCC(C)CS(=O)(=O)CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-10(2)8-23(21,22)9-14(19)17-13-7-11(5-6-12(13)16)15(20)18(3)4/h5-7,10H,8-9H2,1-4H3,(H,17,19)
InChIKeyMGAKJLTWUFJQLG-UHFFFAOYSA-N
XLogP2.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119309782
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
4-chloro-N,N-dimethyl-3-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]benzamide
CID 55669871
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide (CID 86998308) is 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide is CC(C)CS(=O)(=O)CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
The InChIKey is MGAKJLTWUFJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-10(2)8-23(21,22)9-14(19)17-13-7-11(5-6-12(13)16)15(20)18(3)4/h5-7,10H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide has a molecular weight of 360.86 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide is sourced from PubChem (CID 86998308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).