N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

C20H33N3O3S — CID 120602480

IUPACN-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CCNC(C)C2)c(C)c1C
InChIInChI=1S/C20H33N3O3S/c1-12-11-18(7-9-21-12)23-19(24)8-10-22-27(25,26)20-16(5)14(3)13(2)15(4)17(20)6/h12,18,21-22H,7-11H2,1-6H3,(H,23,24)
InChIKeyHWWXRNAPWNTJBG-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.15
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (PubChem CID 120602480) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
PubChem CID120602480
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CCNC(C)C2)c(C)c1C
InChIInChI=1S/C20H33N3O3S/c1-12-11-18(7-9-21-12)23-19(24)8-10-22-27(25,26)20-16(5)14(3)13(2)15(4)17(20)6/h12,18,21-22H,7-11H2,1-6H3,(H,23,24)
InChIKeyHWWXRNAPWNTJBG-UHFFFAOYSA-N
XLogP2.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120602534
3-(dimethylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995184
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601315
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (CID 120602480) is N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CCNC(C)C2)c(C)c1C.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The InChIKey is HWWXRNAPWNTJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-12-11-18(7-9-21-12)23-19(24)8-10-22-27(25,26)20-16(5)14(3)13(2)15(4)17(20)6/h12,18,21-22H,7-11H2,1-6H3,(H,23,24).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide has a molecular weight of 395.57 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 120602480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).