4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide

C24H30N2O3S — CID 24679157

IUPAC4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-3-17(2)19-8-14-23(15-9-19)30(28,29)26(22-12-13-22)16-18-4-6-20(7-5-18)24(27)25-21-10-11-21/h4-9,14-15,17,21-22H,3,10-13,16H2,1-2H3,(H,25,27)
InChIKeyNZZKBEXKTUYLPR-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.45
Rot. Bonds9

About 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide

4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide (PubChem CID 24679157) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
PubChem CID24679157
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESCCC(C)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-3-17(2)19-8-14-23(15-9-19)30(28,29)26(22-12-13-22)16-18-4-6-20(7-5-18)24(27)25-21-10-11-21/h4-9,14-15,17,21-22H,3,10-13,16H2,1-2H3,(H,25,27)
InChIKeyNZZKBEXKTUYLPR-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide (CID 24679157) is 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide is CCC(C)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1.
What is the InChIKey of 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The InChIKey is NZZKBEXKTUYLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-3-17(2)19-8-14-23(15-9-19)30(28,29)26(22-12-13-22)16-18-4-6-20(7-5-18)24(27)25-21-10-11-21/h4-9,14-15,17,21-22H,3,10-13,16H2,1-2H3,(H,25,27).
What are the key properties of 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide has a molecular weight of 426.58 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 24679157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).