2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide

C20H25BrN2O3S — CID 126396038

IUPAC2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25BrN2O3S/c1-2-3-7-14-22-20(24)16-23(15-17-10-12-18(21)13-11-17)27(25,26)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,22,24)
InChIKeyZWQRONRYCFOSQJ-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.95
Rot. Bonds10

About 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide

2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide (PubChem CID 126396038) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
PubChem CID126396038
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC Name2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25BrN2O3S/c1-2-3-7-14-22-20(24)16-23(15-17-10-12-18(21)13-11-17)27(25,26)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,22,24)
InChIKeyZWQRONRYCFOSQJ-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-butylacetamide
CID 126066266
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 2204806
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
CID 1329684
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-propylacetamide
CID 126099656
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-prop-2-enylacetamide
CID 2264372
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 126311474
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-ethoxypropyl)acetamide
CID 126331012
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-ethoxypropyl)acetamide
CID 126331018
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide (CID 126396038) is 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide is CCCCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide?
The InChIKey is ZWQRONRYCFOSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-2-3-7-14-22-20(24)16-23(15-17-10-12-18(21)13-11-17)27(25,26)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide?
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide has a molecular weight of 453.40 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide is sourced from PubChem (CID 126396038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).