N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide

C22H26N2O2S — CID 25469168

IUPACN-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,3)15-8-10-17(11-9-15)24-21(26)18-6-4-5-7-19(18)27-14-20(25)23-16-12-13-16/h4-11,16H,12-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFCJGPRJRMKOMAJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.61
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide

N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 25469168) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID25469168
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,3)15-8-10-17(11-9-15)24-21(26)18-6-4-5-7-19(18)27-14-20(25)23-16-12-13-16/h4-11,16H,12-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFCJGPRJRMKOMAJ-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 4791296
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 16552997
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9044149
N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119476399
N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8744220
N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 38254442

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide (CID 25469168) is N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is FCJGPRJRMKOMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-22(2,3)15-8-10-17(11-9-15)24-21(26)18-6-4-5-7-19(18)27-14-20(25)23-16-12-13-16/h4-11,16H,12-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide?
N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 382.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 25469168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).