(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide

C19H25N5O3S — CID 42325551

IUPAC(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide
SMILESCN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H25N5O3S/c1-22(28(26,27)15-10-17-8-4-2-5-9-17)13-14-24-16-18(20-21-24)19(25)23-11-6-3-7-12-23/h2,4-5,8-10,15-16H,3,6-7,11-14H2,1H3/b15-10+
InChIKeyYJXFYBUMEWQHPY-XNTDXEJSSA-N
MW403.51 g/mol
LogP1.84
Rot. Bonds7

About (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide

(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide (PubChem CID 42325551) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide
PubChem CID42325551
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide
SMILESCN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H25N5O3S/c1-22(28(26,27)15-10-17-8-4-2-5-9-17)13-14-24-16-18(20-21-24)19(25)23-11-6-3-7-12-23/h2,4-5,8-10,15-16H,3,6-7,11-14H2,1H3/b15-10+
InChIKeyYJXFYBUMEWQHPY-XNTDXEJSSA-N
XLogP1.84
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 42362609
3-chloro-N,2-dimethyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 25291034
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61442683
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
[1-[2-[(3-ethoxy-2-hydroxyphenyl)methyl-methylamino]ethyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42274447
[1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42468640
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
CID 42321320
1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
CID 154895422
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
CID 9205651
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide?
The IUPAC name of (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide (CID 42325551) is (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide.
What is the SMILES notation for (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide?
The canonical SMILES for (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide is CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide?
The InChIKey is YJXFYBUMEWQHPY-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-22(28(26,27)15-10-17-8-4-2-5-9-17)13-14-24-16-18(20-21-24)19(25)23-11-6-3-7-12-23/h2,4-5,8-10,15-16H,3,6-7,11-14H2,1H3/b15-10+.
What are the key properties of (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide?
(E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-phenyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]ethenesulfonamide is sourced from PubChem (CID 42325551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).