N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide

C16H21F3N2O4S — CID 32686079

IUPACN-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(C)=O
InChIInChI=1S/C16H21F3N2O4S/c1-10(22)20-14-9-13(6-7-15(14)25-2)26(23,24)21-12-5-3-4-11(8-12)16(17,18)19/h6-7,9,11-12,21H,3-5,8H2,1-2H3,(H,20,22)/t11-,12+/m0/s1
InChIKeyGJQQCBLDJNUCDW-NWDGAFQWSA-N
MW394.42 g/mol
LogP3.05
Rot. Bonds5

About N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide (PubChem CID 32686079) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
PubChem CID32686079
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(C)=O
InChIInChI=1S/C16H21F3N2O4S/c1-10(22)20-14-9-13(6-7-15(14)25-2)26(23,24)21-12-5-3-4-11(8-12)16(17,18)19/h6-7,9,11-12,21H,3-5,8H2,1-2H3,(H,20,22)/t11-,12+/m0/s1
InChIKeyGJQQCBLDJNUCDW-NWDGAFQWSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257
3-methyl-4-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 55691532
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
1-ethyl-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 124683804
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
N-[2-methoxy-5-[(2-methylpropan-2-yl)oxysulfamoyl]phenyl]acetamide
CID 82725075

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide (CID 32686079) is N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide?
The InChIKey is GJQQCBLDJNUCDW-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c1-10(22)20-14-9-13(6-7-15(14)25-2)26(23,24)21-12-5-3-4-11(8-12)16(17,18)19/h6-7,9,11-12,21H,3-5,8H2,1-2H3,(H,20,22)/t11-,12+/m0/s1.
What are the key properties of N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide has a molecular weight of 394.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 32686079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).