3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide

C19H23N3O4S — CID 55898611

IUPAC3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-3-11-20-19(24)14-5-4-6-16(12-14)21-13-18(23)22-15-7-9-17(10-8-15)27(2,25)26/h4-10,12,21H,3,11,13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyLROWUMDUFWXWTP-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.28
Rot. Bonds8

About 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 55898611) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID55898611
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-3-11-20-19(24)14-5-4-6-16(12-14)21-13-18(23)22-15-7-9-17(10-8-15)27(2,25)26/h4-10,12,21H,3,11,13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyLROWUMDUFWXWTP-UHFFFAOYSA-N
XLogP2.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
propyl 4-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54838891
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 55898611) is 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is LROWUMDUFWXWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-11-20-19(24)14-5-4-6-16(12-14)21-13-18(23)22-15-7-9-17(10-8-15)27(2,25)26/h4-10,12,21H,3,11,13H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55898611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).