N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide

C16H22N2O4S — CID 86998042

IUPACN-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
SMILESCC(C)CS(=O)(=O)CC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(2)9-23(21,22)10-15(19)17-13-5-3-12(4-6-13)16(20)18-14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQDGIGSCVHGCJSQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.59
Rot. Bonds7

About N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide

N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide (PubChem CID 86998042) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
PubChem CID86998042
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
SMILESCC(C)CS(=O)(=O)CC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(2)9-23(21,22)10-15(19)17-13-5-3-12(4-6-13)16(20)18-14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQDGIGSCVHGCJSQ-UHFFFAOYSA-N
XLogP1.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083672
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide (CID 86998042) is N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide is CC(C)CS(=O)(=O)CC(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
The InChIKey is QDGIGSCVHGCJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)9-23(21,22)10-15(19)17-13-5-3-12(4-6-13)16(20)18-14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide has a molecular weight of 338.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide is sourced from PubChem (CID 86998042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).