2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide

C15H23BrN4O3S — CID 22516465

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C15H23BrN4O3S/c1-10-3-5-12(6-4-10)19-14(21)9-20(2)24(22,23)13-7-11(16)8-18-15(13)17/h7-8,10,12H,3-6,9H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyVERQWKLGCSBANQ-UHFFFAOYSA-N
MW419.35 g/mol
LogP1.74
Rot. Bonds5

About 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide (PubChem CID 22516465) has the molecular formula C15H23BrN4O3S and a molecular weight of 419.35 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
PubChem CID22516465
Molecular FormulaC15H23BrN4O3S
Molecular Weight419.35 g/mol
Exact Mass418.07
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C15H23BrN4O3S/c1-10-3-5-12(6-4-10)19-14(21)9-20(2)24(22,23)13-7-11(16)8-18-15(13)17/h7-8,10,12H,3-6,9H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyVERQWKLGCSBANQ-UHFFFAOYSA-N
XLogP1.74
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61061158
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 62147179
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 22516457
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 6623835
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(5-amino-2,4-difluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575899
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide (CID 22516465) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is VERQWKLGCSBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3S/c1-10-3-5-12(6-4-10)19-14(21)9-20(2)24(22,23)13-7-11(16)8-18-15(13)17/h7-8,10,12H,3-6,9H2,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 419.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 22516465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).