N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide

C22H28N2O2S — CID 35065040

IUPACN,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CSc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2S/c1-5-24(6-2)22(26)18-8-7-9-19(14-18)23-21(25)15-27-20-12-10-17(11-13-20)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25)
InChIKeyNRLHGQPEJOPBLC-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.02
Rot. Bonds8

About N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide

N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 35065040) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
PubChem CID35065040
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CSc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2S/c1-5-24(6-2)22(26)18-8-7-9-19(14-18)23-21(25)15-27-20-12-10-17(11-13-20)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25)
InChIKeyNRLHGQPEJOPBLC-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
3-[[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 9076180
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N,N-diethyl-3-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 9345312
3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8638827
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8638826
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide (CID 35065040) is N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CSc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is NRLHGQPEJOPBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-5-24(6-2)22(26)18-8-7-9-19(14-18)23-21(25)15-27-20-12-10-17(11-13-20)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25).
What are the key properties of N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide?
N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 384.55 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 35065040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).