N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide

C19H27N3O4S — CID 55951436

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NC1CCCCC1
InChIInChI=1S/C19H27N3O4S/c23-18(21-15-6-2-1-3-7-15)11-12-20-19(24)14-5-4-8-17(13-14)27(25,26)22-16-9-10-16/h4-5,8,13,15-16,22H,1-3,6-7,9-12H2,(H,20,24)(H,21,23)
InChIKeyHUTQLVFPJFICQM-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.70
Rot. Bonds8

About N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide

N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 55951436) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID55951436
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NC1CCCCC1
InChIInChI=1S/C19H27N3O4S/c23-18(21-15-6-2-1-3-7-15)11-12-20-19(24)14-5-4-8-17(13-14)27(25,26)22-16-9-10-16/h4-5,8,13,15-16,22H,1-3,6-7,9-12H2,(H,20,24)(H,21,23)
InChIKeyHUTQLVFPJFICQM-UHFFFAOYSA-N
XLogP1.70
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55690965

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide (CID 55951436) is N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide is O=C(CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is HUTQLVFPJFICQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c23-18(21-15-6-2-1-3-7-15)11-12-20-19(24)14-5-4-8-17(13-14)27(25,26)22-16-9-10-16/h4-5,8,13,15-16,22H,1-3,6-7,9-12H2,(H,20,24)(H,21,23).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55951436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).