N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide

C23H21N3O3S — CID 22777218

IUPACN-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N3O3S/c1-15-2-4-17(5-3-15)23(29)26-19-10-12-20(13-11-19)30-14-21(27)25-18-8-6-16(7-9-18)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)(H,26,29)
InChIKeySXJOYFAUMDOLHM-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.08
Rot. Bonds7

About N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide

N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide (PubChem CID 22777218) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
PubChem CID22777218
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N3O3S/c1-15-2-4-17(5-3-15)23(29)26-19-10-12-20(13-11-19)30-14-21(27)25-18-8-6-16(7-9-18)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)(H,26,29)
InChIKeySXJOYFAUMDOLHM-UHFFFAOYSA-N
XLogP4.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzamide
CID 22777221
N-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19630153
4-methyl-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 22781682
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide (CID 22777218) is N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
The InChIKey is SXJOYFAUMDOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-2-4-17(5-3-15)23(29)26-19-10-12-20(13-11-19)30-14-21(27)25-18-8-6-16(7-9-18)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide?
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide has a molecular weight of 419.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide is sourced from PubChem (CID 22777218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).