3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

C21H19BrN2O3S2 — CID 39153809

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C21H19BrN2O3S2/c22-16-6-10-20(11-7-16)29(26,27)23-17-4-1-3-15(13-17)21(25)24(18-8-9-18)14-19-5-2-12-28-19/h1-7,10-13,18,23H,8-9,14H2
InChIKeyAMIPYVCLFJPBIU-UHFFFAOYSA-N
MW491.43 g/mol
LogP5.12
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 39153809) has the molecular formula C21H19BrN2O3S2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID39153809
Molecular FormulaC21H19BrN2O3S2
Molecular Weight491.43 g/mol
Exact Mass490.00
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C21H19BrN2O3S2/c22-16-6-10-20(11-7-16)29(26,27)23-17-4-1-3-15(13-17)21(25)24(18-8-9-18)14-19-5-2-12-28-19/h1-7,10-13,18,23H,8-9,14H2
InChIKeyAMIPYVCLFJPBIU-UHFFFAOYSA-N
XLogP5.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
N-cyclopropyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 55581710
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 46402431
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594
N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 37483984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (CID 39153809) is 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AMIPYVCLFJPBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S2/c22-16-6-10-20(11-7-16)29(26,27)23-17-4-1-3-15(13-17)21(25)24(18-8-9-18)14-19-5-2-12-28-19/h1-7,10-13,18,23H,8-9,14H2.
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 491.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 39153809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).