N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H33N3O4S — CID 55951815

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O4S/c1-17-12-15-25(16-13-17)30(28,29)20-9-7-18(8-10-20)22(27)23-14-11-21(26)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyZBRYNHFOXSUUCJ-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55951815) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55951815
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O4S/c1-17-12-15-25(16-13-17)30(28,29)20-9-7-18(8-10-20)22(27)23-14-11-21(26)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyZBRYNHFOXSUUCJ-UHFFFAOYSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119504648
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 24611613
N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 31849879
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 55952714
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide
CID 9051584
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 55951815) is N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is ZBRYNHFOXSUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-17-12-15-25(16-13-17)30(28,29)20-9-7-18(8-10-20)22(27)23-14-11-21(26)24-19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 435.59 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55951815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).