N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide

C24H32N4O4S — CID 55472471

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-18-8-7-9-19(2)23(18)26-22(29)17-27(3)24(30)25-16-20-10-12-21(13-11-20)33(31,32)28-14-5-4-6-15-28/h7-13H,4-6,14-17H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyIDJZNUGHXAUTIN-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.26
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide (PubChem CID 55472471) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide
PubChem CID55472471
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-18-8-7-9-19(2)23(18)26-22(29)17-27(3)24(30)25-16-20-10-12-21(13-11-20)33(31,32)28-14-5-4-6-15-28/h7-13H,4-6,14-17H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyIDJZNUGHXAUTIN-UHFFFAOYSA-N
XLogP3.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(2-ethyl-6-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900185
1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]urea
CID 41219708
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803720
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981969
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24818370
N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195727
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 24979798
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46477648
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide (CID 55472471) is N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide?
The InChIKey is IDJZNUGHXAUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-18-8-7-9-19(2)23(18)26-22(29)17-27(3)24(30)25-16-20-10-12-21(13-11-20)33(31,32)28-14-5-4-6-15-28/h7-13H,4-6,14-17H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide has a molecular weight of 472.61 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide is sourced from PubChem (CID 55472471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).