N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide

C14H20BrN3O3S — CID 120582490

IUPACN-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(S(=O)(=O)NCC(N)C2CC2)cc1Br
InChIInChI=1S/C14H20BrN3O3S/c1-8-5-13(18-9(2)19)11(15)6-14(8)22(20,21)17-7-12(16)10-3-4-10/h5-6,10,12,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeySRSXBCGGYRXWCZ-UHFFFAOYSA-N
MW390.30 g/mol
LogP1.73
Rot. Bonds6

About N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide

N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide (PubChem CID 120582490) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide
PubChem CID120582490
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC NameN-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(S(=O)(=O)NCC(N)C2CC2)cc1Br
InChIInChI=1S/C14H20BrN3O3S/c1-8-5-13(18-9(2)19)11(15)6-14(8)22(20,21)17-7-12(16)10-3-4-10/h5-6,10,12,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeySRSXBCGGYRXWCZ-UHFFFAOYSA-N
XLogP1.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 115301298
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120582550
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 114626150
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide?
The IUPAC name of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide (CID 120582490) is N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(N)C2CC2)cc1Br.
What is the InChIKey of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide?
The InChIKey is SRSXBCGGYRXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c1-8-5-13(18-9(2)19)11(15)6-14(8)22(20,21)17-7-12(16)10-3-4-10/h5-6,10,12,17H,3-4,7,16H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide?
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide has a molecular weight of 390.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide is sourced from PubChem (CID 120582490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).