2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide

C12H17BrN2O3S — CID 2190609

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyJSEOQTXNFTVJEP-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.60
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 2190609) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID2190609
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyJSEOQTXNFTVJEP-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoate
CID 46488251
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797738
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951462
propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate
CID 56543925
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 112826372
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-propylacetamide
CID 126099656

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide (CID 2190609) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is JSEOQTXNFTVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 349.25 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 2190609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).