N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide

C14H19N5O4S — CID 99958080

IUPACN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H19N5O4S/c1-10(13-18-16-9-19(13)7-8-23-2)17-14(20)11-3-5-12(6-4-11)24(15,21)22/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H2,15,21,22)/t10-/m0/s1
InChIKeyOEBHCNBNAQKZER-JTQLQIEISA-N
MW353.40 g/mol
LogP0.06
Rot. Bonds7

About N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide

N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide (PubChem CID 99958080) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
PubChem CID99958080
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H19N5O4S/c1-10(13-18-16-9-19(13)7-8-23-2)17-14(20)11-3-5-12(6-4-11)24(15,21)22/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H2,15,21,22)/t10-/m0/s1
InChIKeyOEBHCNBNAQKZER-JTQLQIEISA-N
XLogP0.06
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254
4-(cyclobutanecarbonylamino)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95120085
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97123084
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118780951
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761
1-(difluoromethyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazole-3-carboxamide
CID 156584689

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide (CID 99958080) is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide is COCCn1cnnc1[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide?
The InChIKey is OEBHCNBNAQKZER-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-10(13-18-16-9-19(13)7-8-23-2)17-14(20)11-3-5-12(6-4-11)24(15,21)22/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H2,15,21,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide?
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide has a molecular weight of 353.40 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 99958080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).