N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide

C18H28N2O4S — CID 3235859

IUPACN-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-24-16-9-11-17(12-10-16)25(22,23)19-14-13-18(21)20-15-7-5-3-2-4-6-8-15/h9-12,15,19H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyMVBWQPNNFROLMA-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.59
Rot. Bonds7

About N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide

N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 3235859) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID3235859
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-24-16-9-11-17(12-10-16)25(22,23)19-14-13-18(21)20-15-7-5-3-2-4-6-8-15/h9-12,15,19H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyMVBWQPNNFROLMA-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 4963811
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-(4-Methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide
CID 10663143
3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 23553786
N-cyclopropyl-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 894252
N-cycloheptyl-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1075447
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316831
1-(4-Methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopropylmethyl-amide
CID 1458164
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1815555
N-Ethyl-2-[(4-methoxy-benzenesulfonyl)-phenethyl-amino]-acetamide
CID 2241780
N-isopropyl-2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetamide
CID 3138910

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 3235859) is N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is MVBWQPNNFROLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-24-16-9-11-17(12-10-16)25(22,23)19-14-13-18(21)20-15-7-5-3-2-4-6-8-15/h9-12,15,19H,2-8,13-14H2,1H3,(H,20,21).
What are the key properties of N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3235859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).