(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C15H21N5O3S2 — CID 9379504

IUPAC(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCCn1cnnc1S[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H21N5O3S2/c1-3-20-10-18-19-15(20)24-11(2)14(21)17-9-8-12-4-6-13(7-5-12)25(16,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,21)(H2,16,22,23)/t11-/m0/s1
InChIKeyGYGJLCYDPPQDMX-NSHDSACASA-N
MW383.50 g/mol
LogP0.78
Rot. Bonds8

About (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 9379504) has the molecular formula C15H21N5O3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID9379504
Molecular FormulaC15H21N5O3S2
Molecular Weight383.50 g/mol
Exact Mass383.11
IUPAC Name(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCCn1cnnc1S[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H21N5O3S2/c1-3-20-10-18-19-15(20)24-11(2)14(21)17-9-8-12-4-6-13(7-5-12)25(16,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,21)(H2,16,22,23)/t11-/m0/s1
InChIKeyGYGJLCYDPPQDMX-NSHDSACASA-N
XLogP0.78
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide with MolForge

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Related Compounds

(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 9378546
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8977843
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 51300461
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8988160
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
CID 46624030
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46616977
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
(2R)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 40677942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 9379504) is (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CCn1cnnc1S[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is GYGJLCYDPPQDMX-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O3S2/c1-3-20-10-18-19-15(20)24-11(2)14(21)17-9-8-12-4-6-13(7-5-12)25(16,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,21)(H2,16,22,23)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 383.50 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 9379504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).