N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide

C16H22Br2N2O3S — CID 154872443

IUPACN-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)NCC1CCCC1
InChIInChI=1S/C16H22Br2N2O3S/c1-16(2,15(21)19-10-11-5-3-4-6-11)20-24(22,23)14-8-12(17)7-13(18)9-14/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyANVHIPCGHHOTGG-UHFFFAOYSA-N
MW482.24 g/mol
LogP3.57
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide

N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide (PubChem CID 154872443) has the molecular formula C16H22Br2N2O3S and a molecular weight of 482.24 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide
PubChem CID154872443
Molecular FormulaC16H22Br2N2O3S
Molecular Weight482.24 g/mol
Exact Mass479.97
IUPAC NameN-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)NCC1CCCC1
InChIInChI=1S/C16H22Br2N2O3S/c1-16(2,15(21)19-10-11-5-3-4-6-11)20-24(22,23)14-8-12(17)7-13(18)9-14/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyANVHIPCGHHOTGG-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-[(2,5-difluorophenyl)sulfonylamino]-2-methylpropanamide
CID 154863575
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide
CID 154863576
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
1-(3,5-dibromophenyl)-3-[[3-[[(3,5-dibromophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 10122790
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
CID 146675190
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide (CID 154872443) is N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide is CC(C)(NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide?
The InChIKey is ANVHIPCGHHOTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2O3S/c1-16(2,15(21)19-10-11-5-3-4-6-11)20-24(22,23)14-8-12(17)7-13(18)9-14/h7-9,11,20H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide?
N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide has a molecular weight of 482.24 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[(3,5-dibromophenyl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 154872443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).