N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide

C13H18N2O2S — CID 71168832

IUPACN-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide
SMILESCC(C)S(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2O2S/c1-9(2)18(17)15-12-5-3-10(4-6-12)13(16)14-11-7-8-11/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeySUANHWFVPJKBAE-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.06
Rot. Bonds5

About N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide

N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide (PubChem CID 71168832) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide
PubChem CID71168832
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide
SMILESCC(C)S(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2O2S/c1-9(2)18(17)15-12-5-3-10(4-6-12)13(16)14-11-7-8-11/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeySUANHWFVPJKBAE-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylcyclohexyl)-4-(propan-2-ylsulfinylamino)benzamide
CID 70892501
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
CID 63698290
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998042

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide (CID 71168832) is N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide is CC(C)S(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide?
The InChIKey is SUANHWFVPJKBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)18(17)15-12-5-3-10(4-6-12)13(16)14-11-7-8-11/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide?
N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide has a molecular weight of 266.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(propan-2-ylsulfinylamino)benzamide is sourced from PubChem (CID 71168832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).