N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide

C19H27FN4O4S — CID 9450836

IUPACN-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1
InChIInChI=1S/C19H27FN4O4S/c20-15-6-8-17(9-7-15)29(27,28)24-11-3-10-23(12-13-24)14-18(25)22-19(26)21-16-4-1-2-5-16/h6-9,16H,1-5,10-14H2,(H2,21,22,25,26)
InChIKeyXRJCSCGJAOJQTP-UHFFFAOYSA-N
MW426.51 g/mol
LogP1.29
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide

N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide (PubChem CID 9450836) has the molecular formula C19H27FN4O4S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
PubChem CID9450836
Molecular FormulaC19H27FN4O4S
Molecular Weight426.51 g/mol
Exact Mass426.17
IUPAC NameN-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1
InChIInChI=1S/C19H27FN4O4S/c20-15-6-8-17(9-7-15)29(27,28)24-11-3-10-23(12-13-24)14-18(25)22-19(26)21-16-4-1-2-5-16/h6-9,16H,1-5,10-14H2,(H2,21,22,25,26)
InChIKeyXRJCSCGJAOJQTP-UHFFFAOYSA-N
XLogP1.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 2998224
N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 31632057
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8688461
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 16599138
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
1-cyclohexyl-3-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]urea
CID 16614919
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41167076
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493229
1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
CID 50822758

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide (CID 9450836) is N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The InChIKey is XRJCSCGJAOJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O4S/c20-15-6-8-17(9-7-15)29(27,28)24-11-3-10-23(12-13-24)14-18(25)22-19(26)21-16-4-1-2-5-16/h6-9,16H,1-5,10-14H2,(H2,21,22,25,26).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide has a molecular weight of 426.51 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 9450836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).