N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide

C23H29N3O2S — CID 1064549

IUPACN-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESCN(C)c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H29N3O2S/c1-26(2)21-14-13-18(24-22(27)16-29-19-11-7-4-8-12-19)15-20(21)23(28)25-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWEZTYAKQNSPEGC-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.55
Rot. Bonds7

About N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide

N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 1064549) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
PubChem CID1064549
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESCN(C)c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H29N3O2S/c1-26(2)21-14-13-18(24-22(27)16-29-19-11-7-4-8-12-19)15-20(21)23(28)25-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWEZTYAKQNSPEGC-UHFFFAOYSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 4317913
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide (CID 1064549) is N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide is CN(C)c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is WEZTYAKQNSPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-26(2)21-14-13-18(24-22(27)16-29-19-11-7-4-8-12-19)15-20(21)23(28)25-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide?
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 411.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 1064549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).