N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

C20H24BrN3O4S — CID 24681682

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-14(2)15-7-9-16(10-8-15)29(27,28)23-12-11-19(25)22-13-20(26)24-18-6-4-3-5-17(18)21/h3-10,14,23H,11-13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyWYGHTXZQANVAMB-UHFFFAOYSA-N
MW482.40 g/mol
LogP3.00
Rot. Bonds9

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 24681682) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID24681682
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-14(2)15-7-9-16(10-8-15)29(27,28)23-12-11-19(25)22-13-20(26)24-18-6-4-3-5-17(18)21/h3-10,14,23H,11-13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyWYGHTXZQANVAMB-UHFFFAOYSA-N
XLogP3.00
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 126267768
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224808

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 24681682) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is CC(C)c1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is WYGHTXZQANVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-14(2)15-7-9-16(10-8-15)29(27,28)23-12-11-19(25)22-13-20(26)24-18-6-4-3-5-17(18)21/h3-10,14,23H,11-13H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 482.40 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24681682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).