2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

C19H35N5O4S — CID 16599138

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H35N5O4S/c25-18(21-19(26)20-17-8-4-3-5-9-17)16-22-12-14-24(15-13-22)29(27,28)23-10-6-1-2-7-11-23/h17H,1-16H2,(H2,20,21,25,26)
InChIKeyNGZOCDVMLZETCV-UHFFFAOYSA-N
MW429.59 g/mol
LogP0.88
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 16599138) has the molecular formula C19H35N5O4S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID16599138
Molecular FormulaC19H35N5O4S
Molecular Weight429.59 g/mol
Exact Mass429.24
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H35N5O4S/c25-18(21-19(26)20-17-8-4-3-5-9-17)16-22-12-14-24(15-13-22)29(27,28)23-10-6-1-2-7-11-23/h17H,1-16H2,(H2,20,21,25,26)
InChIKeyNGZOCDVMLZETCV-UHFFFAOYSA-N
XLogP0.88
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 9450836
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 2998224
tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196633
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide (CID 16599138) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide is O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is NGZOCDVMLZETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O4S/c25-18(21-19(26)20-17-8-4-3-5-9-17)16-22-12-14-24(15-13-22)29(27,28)23-10-6-1-2-7-11-23/h17H,1-16H2,(H2,20,21,25,26).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 16599138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).