N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide

C23H29N5O5S — CID 46330151

IUPACN-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)ccc21
InChIInChI=1S/C23H29N5O5S/c1-4-11-28-20-7-6-18(15-19(20)25-26-28)34(30,31)27-12-9-16(10-13-27)23(29)24-17-5-8-21(32-2)22(14-17)33-3/h5-8,14-16H,4,9-13H2,1-3H3,(H,24,29)
InChIKeyCUCIHNCWHFJDRF-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.90
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 46330151) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID46330151
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)ccc21
InChIInChI=1S/C23H29N5O5S/c1-4-11-28-20-7-6-18(15-19(20)25-26-28)34(30,31)27-12-9-16(10-13-27)23(29)24-17-5-8-21(32-2)22(14-17)33-3/h5-8,14-16H,4,9-13H2,1-3H3,(H,24,29)
InChIKeyCUCIHNCWHFJDRF-UHFFFAOYSA-N
XLogP2.90
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 46330152
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 20934046
(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92890327
N-(3-chloro-4-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077654
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 53064335
1-[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 92871177
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
(2S)-N-(4-chlorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92890332
(3S)-N-(3-methoxypropyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92890056

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide (CID 46330151) is N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide is CCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)ccc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CUCIHNCWHFJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-4-11-28-20-7-6-18(15-19(20)25-26-28)34(30,31)27-12-9-16(10-13-27)23(29)24-17-5-8-21(32-2)22(14-17)33-3/h5-8,14-16H,4,9-13H2,1-3H3,(H,24,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46330151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).