N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide

C28H46N4O4S — CID 10697594

IUPACN-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
SMILESCCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C28H46N4O4S/c1-4-30(5-2)20-21-31(28(34)23-16-18-24(19-17-23)29-37(3,35)36)22-27(33)32(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h16-19,25-26,29H,4-15,20-22H2,1-3H3
InChIKeyNMOYIRFNECZNQZ-UHFFFAOYSA-N
MW534.77 g/mol
LogP4.34
Rot. Bonds12

About N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide

N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 10697594) has the molecular formula C28H46N4O4S and a molecular weight of 534.77 g/mol. Its IUPAC name is N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID10697594
Molecular FormulaC28H46N4O4S
Molecular Weight534.77 g/mol
Exact Mass534.32
IUPAC NameN-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
SMILESCCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C28H46N4O4S/c1-4-30(5-2)20-21-31(28(34)23-16-18-24(19-17-23)29-37(3,35)36)22-27(33)32(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h16-19,25-26,29H,4-15,20-22H2,1-3H3
InChIKeyNMOYIRFNECZNQZ-UHFFFAOYSA-N
XLogP4.34
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide
CID 3136485
N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;hydrate;dihydrochloride
CID 18531948
4-acetamido-N-[3-(dibutylamino)propyl]-N-[2-(dicyclohexylamino)-2-oxoethyl]benzamide;oxalic acid;dihydrate
CID 110169420
2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728
N-cyclopentyl-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 51093124
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
3-[[2-(dicyclohexylamino)-2-oxoethyl]-(4-nitrobenzoyl)amino]propyl-diethylazanium chloride
CID 110168580
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884

Frequently Asked Questions

What is the IUPAC name of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide (CID 10697594) is N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide is CCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is NMOYIRFNECZNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N4O4S/c1-4-30(5-2)20-21-31(28(34)23-16-18-24(19-17-23)29-37(3,35)36)22-27(33)32(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h16-19,25-26,29H,4-15,20-22H2,1-3H3.
What are the key properties of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide?
N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 534.77 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 10697594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).