2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide

C16H17BrN2O3S2 — CID 27755032

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1cccs1
InChIInChI=1S/C16H17BrN2O3S2/c1-10(15-3-2-8-23-15)18-16(20)13-9-12(6-7-14(13)17)24(21,22)19-11-4-5-11/h2-3,6-11,19H,4-5H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyGHKIMUMYGOBSGT-JTQLQIEISA-N
MW429.36 g/mol
LogP3.44
Rot. Bonds6

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 27755032) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID27755032
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1cccs1
InChIInChI=1S/C16H17BrN2O3S2/c1-10(15-3-2-8-23-15)18-16(20)13-9-12(6-7-14(13)17)24(21,22)19-11-4-5-11/h2-3,6-11,19H,4-5H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyGHKIMUMYGOBSGT-JTQLQIEISA-N
XLogP3.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 24610224
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 27755032) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide is C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1cccs1.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is GHKIMUMYGOBSGT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c1-10(15-3-2-8-23-15)18-16(20)13-9-12(6-7-14(13)17)24(21,22)19-11-4-5-11/h2-3,6-11,19H,4-5H2,1H3,(H,18,20)/t10-/m0/s1.
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 429.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 27755032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).