N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

C16H22N2O3S2 — CID 100731046

IUPACN-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NC(C)=O
InChIInChI=1S/C16H22N2O3S2/c1-10(19)17-15-9-13(5-6-16(15)22-2)23(20,21)18-14-8-11-3-4-12(14)7-11/h5-6,9,11-12,14,18H,3-4,7-8H2,1-2H3,(H,17,19)/t11-,12+,14+/m0/s1
InChIKeyLQRIQAJNUMOQJY-OUCADQQQSA-N
MW354.50 g/mol
LogP2.83
Rot. Bonds5

About N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100731046) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100731046
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NC(C)=O
InChIInChI=1S/C16H22N2O3S2/c1-10(19)17-15-9-13(5-6-16(15)22-2)23(20,21)18-14-8-11-3-4-12(14)7-11/h5-6,9,11-12,14,18H,3-4,7-8H2,1-2H3,(H,17,19)/t11-,12+,14+/m0/s1
InChIKeyLQRIQAJNUMOQJY-OUCADQQQSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide with MolForge

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
CID 7333463
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide
CID 133161258
5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 98054835
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 6553841
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 7480344
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100731046) is N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NC(C)=O.
What is the InChIKey of N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is LQRIQAJNUMOQJY-OUCADQQQSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-10(19)17-15-9-13(5-6-16(15)22-2)23(20,21)18-14-8-11-3-4-12(14)7-11/h5-6,9,11-12,14,18H,3-4,7-8H2,1-2H3,(H,17,19)/t11-,12+,14+/m0/s1.
What are the key properties of N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100731046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).