2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide

C14H21BrN2O3S — CID 61060306

IUPAC2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c1-3-8-16-14(18)11-17(9-4-2)21(19,20)13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyFDDZWFYNHQPMIL-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.38
Rot. Bonds8

About 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide

2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide (PubChem CID 61060306) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
PubChem CID61060306
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c1-3-8-16-14(18)11-17(9-4-2)21(19,20)13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyFDDZWFYNHQPMIL-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-bromophenyl)sulfonyl-propylamino]acetate
CID 60521021
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
3-[(3-bromophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009872
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide (CID 61060306) is 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide?
The InChIKey is FDDZWFYNHQPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-8-16-14(18)11-17(9-4-2)21(19,20)13-7-5-6-12(15)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide?
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide has a molecular weight of 377.30 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 61060306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).