N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide

C21H29N3O4S — CID 89238281

IUPACN-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide
SMILESC=CC(=O)NC1CC(C)N(S(=O)(=O)c2ccc(N(C)C(=O)C3CC3)cc2)C(C)C1
InChIInChI=1S/C21H29N3O4S/c1-5-20(25)22-17-12-14(2)24(15(3)13-17)29(27,28)19-10-8-18(9-11-19)23(4)21(26)16-6-7-16/h5,8-11,14-17H,1,6-7,12-13H2,2-4H3,(H,22,25)
InChIKeyLTTKIHLIUVEUOU-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.29
Rot. Bonds6

About N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide

N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide (PubChem CID 89238281) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide
PubChem CID89238281
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide
SMILESC=CC(=O)NC1CC(C)N(S(=O)(=O)c2ccc(N(C)C(=O)C3CC3)cc2)C(C)C1
InChIInChI=1S/C21H29N3O4S/c1-5-20(25)22-17-12-14(2)24(15(3)13-17)29(27,28)19-10-8-18(9-11-19)23(4)21(26)16-6-7-16/h5,8-11,14-17H,1,6-7,12-13H2,2-4H3,(H,22,25)
InChIKeyLTTKIHLIUVEUOU-UHFFFAOYSA-N
XLogP2.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89239014
N-methyl-N-[4-[3-(prop-2-enoylamino)azetidin-1-yl]sulfonylphenyl]oxane-4-carboxamide
CID 89235923
N-[2,6-dimethyl-1-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237010
4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-methyl-N-(2-phenylethyl)benzamide
CID 89237221
N-methyl-N-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]oxane-4-carboxamide
CID 89238203
N-benzyl-4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237355
N-[2,6-dimethyl-1-[(6-phenyl-3-pyridinyl)sulfonyl]piperidin-4-yl]prop-2-enamide
CID 89237712
N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
CID 136579118
N-methyl-N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]oxane-4-carboxamide
CID 89239013
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89238995
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
N-[2,6-dimethyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238967

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide (CID 89238281) is N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide is C=CC(=O)NC1CC(C)N(S(=O)(=O)c2ccc(N(C)C(=O)C3CC3)cc2)C(C)C1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide?
The InChIKey is LTTKIHLIUVEUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-5-20(25)22-17-12-14(2)24(15(3)13-17)29(27,28)19-10-8-18(9-11-19)23(4)21(26)16-6-7-16/h5,8-11,14-17H,1,6-7,12-13H2,2-4H3,(H,22,25).
What are the key properties of N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide?
N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide has a molecular weight of 419.55 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 89238281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).