N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C26H33N3O4S — CID 46579110

IUPACN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C26H33N3O4S/c1-17-10-12-28(13-11-17)34(32,33)24-15-22(14-18(2)19(24)3)26(31)29(23-8-9-23)16-20-4-6-21(7-5-20)25(27)30/h4-7,14-15,17,23H,8-13,16H2,1-3H3,(H2,27,30)
InChIKeyMCDPWRSCDUVLJB-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.63
Rot. Bonds7

About N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46579110) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46579110
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C26H33N3O4S/c1-17-10-12-28(13-11-17)34(32,33)24-15-22(14-18(2)19(24)3)26(31)29(23-8-9-23)16-20-4-6-21(7-5-20)25(27)30/h4-7,14-15,17,23H,8-13,16H2,1-3H3,(H2,27,30)
InChIKeyMCDPWRSCDUVLJB-UHFFFAOYSA-N
XLogP3.63
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 51218909
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26454802
(2-amino-2-oxoethyl) 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27577234
[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 37483746
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 33342779
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 46822567
[2-(2-methylanilino)-2-oxoethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 46822544
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
3-[[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-2-methylpropanoic acid
CID 119236545

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 46579110) is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is MCDPWRSCDUVLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-17-10-12-28(13-11-17)34(32,33)24-15-22(14-18(2)19(24)3)26(31)29(23-8-9-23)16-20-4-6-21(7-5-20)25(27)30/h4-7,14-15,17,23H,8-13,16H2,1-3H3,(H2,27,30).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 483.63 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46579110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).