N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

C18H24N4O5S — CID 155917124

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C18H24N4O5S/c1-21(2)28(24,25)12-14-10-27-11-15(14)20-18(23)13-8-19-22(9-13)16-6-4-5-7-17(16)26-3/h4-9,14-15H,10-12H2,1-3H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyOJVWVNYRVVHEGW-LSDHHAIUSA-N
MW408.48 g/mol
LogP0.52
Rot. Bonds7

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 155917124) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID155917124
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C18H24N4O5S/c1-21(2)28(24,25)12-14-10-27-11-15(14)20-18(23)13-8-19-22(9-13)16-6-4-5-7-17(16)26-3/h4-9,14-15H,10-12H2,1-3H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyOJVWVNYRVVHEGW-LSDHHAIUSA-N
XLogP0.52
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 155917124) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cn1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is OJVWVNYRVVHEGW-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-21(2)28(24,25)12-14-10-27-11-15(14)20-18(23)13-8-19-22(9-13)16-6-4-5-7-17(16)26-3/h4-9,14-15H,10-12H2,1-3H3,(H,20,23)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 155917124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).