2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide

C24H37N3O4S — CID 3190512

IUPAC2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)N(C(C)C(=O)NC2CCCCC2)C(C)(C)C)cc1
InChIInChI=1S/C24H37N3O4S/c1-17-11-13-20(14-12-17)25-21(28)15-32(31)16-22(29)27(24(3,4)5)18(2)23(30)26-19-9-7-6-8-10-19/h11-14,18-19H,6-10,15-16H2,1-5H3,(H,25,28)(H,26,30)
InChIKeyJBDCQOUPPHYZOE-UHFFFAOYSA-N
MW463.64 g/mol
LogP3.15
Rot. Bonds8

About 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide

2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide (PubChem CID 3190512) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide
PubChem CID3190512
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC Name2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)N(C(C)C(=O)NC2CCCCC2)C(C)(C)C)cc1
InChIInChI=1S/C24H37N3O4S/c1-17-11-13-20(14-12-17)25-21(28)15-32(31)16-22(29)27(24(3,4)5)18(2)23(30)26-19-9-7-6-8-10-19/h11-14,18-19H,6-10,15-16H2,1-5H3,(H,25,28)(H,26,30)
InChIKeyJBDCQOUPPHYZOE-UHFFFAOYSA-N
XLogP3.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide (CID 3190512) is 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide is Cc1ccc(NC(=O)CS(=O)CC(=O)N(C(C)C(=O)NC2CCCCC2)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide?
The InChIKey is JBDCQOUPPHYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-17-11-13-20(14-12-17)25-21(28)15-32(31)16-22(29)27(24(3,4)5)18(2)23(30)26-19-9-7-6-8-10-19/h11-14,18-19H,6-10,15-16H2,1-5H3,(H,25,28)(H,26,30).
What are the key properties of 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide?
2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide has a molecular weight of 463.64 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 3190512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).