5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide

C17H19N5O4S — CID 99788275

IUPAC5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ncn[nH]2)c2ccccc2)co1
InChIInChI=1S/C17H19N5O4S/c1-22(2)27(24,25)16-8-13(10-26-16)17(23)20-14(9-15-18-11-19-21-15)12-6-4-3-5-7-12/h3-8,10-11,14H,9H2,1-2H3,(H,20,23)(H,18,19,21)/t14-/m0/s1
InChIKeyPFQZCQIQDVDUQD-AWEZNQCLSA-N
MW389.44 g/mol
LogP1.36
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide

5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide (PubChem CID 99788275) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
PubChem CID99788275
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ncn[nH]2)c2ccccc2)co1
InChIInChI=1S/C17H19N5O4S/c1-22(2)27(24,25)16-8-13(10-26-16)17(23)20-14(9-15-18-11-19-21-15)12-6-4-3-5-7-12/h3-8,10-11,14H,9H2,1-2H3,(H,20,23)(H,18,19,21)/t14-/m0/s1
InChIKeyPFQZCQIQDVDUQD-AWEZNQCLSA-N
XLogP1.36
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]benzo[g][1]benzofuran-2-carboxamide
CID 91649991
2-(3,5-dichlorophenoxy)-N-[(1R)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 100627761
2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide
CID 99800960
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
CID 114823481
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
2-methyl-N-[4-[2-oxo-2-[[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 155949415
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
(3S)-3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfonylamino)propanoic acid
CID 167837089
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
CID 119201090
N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 110001278

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide (CID 99788275) is 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide is CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ncn[nH]2)c2ccccc2)co1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
The InChIKey is PFQZCQIQDVDUQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-22(2)27(24,25)16-8-13(10-26-16)17(23)20-14(9-15-18-11-19-21-15)12-6-4-3-5-7-12/h3-8,10-11,14H,9H2,1-2H3,(H,20,23)(H,18,19,21)/t14-/m0/s1.
What are the key properties of 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 99788275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).