N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 80505327

IUPACN-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(N)c2ccccc2)sc1Br
InChIInChI=1S/C14H17BrN2O2S2/c1-10-9-13(20-14(10)15)21(18,19)17-8-7-12(16)11-5-3-2-4-6-11/h2-6,9,12,17H,7-8,16H2,1H3
InChIKeyBVJIEASGWBDVLK-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.19
Rot. Bonds6

About N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide

N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 80505327) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID80505327
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(N)c2ccccc2)sc1Br
InChIInChI=1S/C14H17BrN2O2S2/c1-10-9-13(20-14(10)15)21(18,19)17-8-7-12(16)11-5-3-2-4-6-11/h2-6,9,12,17H,7-8,16H2,1H3
InChIKeyBVJIEASGWBDVLK-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79998796
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940
5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 112697586
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide
CID 3566476

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 80505327) is N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCC(N)c2ccccc2)sc1Br.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is BVJIEASGWBDVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-10-9-13(20-14(10)15)21(18,19)17-8-7-12(16)11-5-3-2-4-6-11/h2-6,9,12,17H,7-8,16H2,1H3.
What are the key properties of N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 80505327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).