2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide

C19H27BrN2O4S — CID 2917382

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCC1CCCO1
InChIInChI=1S/C19H27BrN2O4S/c20-15-8-10-18(11-9-15)27(24,25)22(16-5-2-1-3-6-16)14-19(23)21-13-17-7-4-12-26-17/h8-11,16-17H,1-7,12-14H2,(H,21,23)
InChIKeyOUNLDCNAFIGSFI-UHFFFAOYSA-N
MW459.41 g/mol
LogP3.07
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2917382) has the molecular formula C19H27BrN2O4S and a molecular weight of 459.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2917382
Molecular FormulaC19H27BrN2O4S
Molecular Weight459.41 g/mol
Exact Mass458.09
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCC1CCCO1
InChIInChI=1S/C19H27BrN2O4S/c20-15-8-10-18(11-9-15)27(24,25)22(16-5-2-1-3-6-16)14-19(23)21-13-17-7-4-12-26-17/h8-11,16-17H,1-7,12-14H2,(H,21,23)
InChIKeyOUNLDCNAFIGSFI-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1276393
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126210808
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104629
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2896469
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 2917382) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OUNLDCNAFIGSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O4S/c20-15-8-10-18(11-9-15)27(24,25)22(16-5-2-1-3-6-16)14-19(23)21-13-17-7-4-12-26-17/h8-11,16-17H,1-7,12-14H2,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 459.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2917382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).