N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

C22H33N3O4S — CID 42943353

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1C
InChIInChI=1S/C22H33N3O4S/c1-13-12-14(2)16(4)20(15(13)3)30(28,29)24-17(5)21(26)23-19-8-10-25(11-9-19)22(27)18-6-7-18/h12,17-19,24H,6-11H2,1-5H3,(H,23,26)
InChIKeyVOKVRXLCIRVLRZ-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.10
Rot. Bonds6

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (PubChem CID 42943353) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
PubChem CID42943353
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1C
InChIInChI=1S/C22H33N3O4S/c1-13-12-14(2)16(4)20(15(13)3)30(28,29)24-17(5)21(26)23-19-8-10-25(11-9-19)22(27)18-6-7-18/h12,17-19,24H,6-11H2,1-5H3,(H,23,26)
InChIKeyVOKVRXLCIRVLRZ-UHFFFAOYSA-N
XLogP2.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide with MolForge

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Related Compounds

ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 24553992
N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
CID 24610123
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 103171744
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
cyclopropyl-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797136
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46450682
methyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzoate
CID 9068798
N,N-diethyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxamide
CID 34217987
(2S)-2-(benzenesulfonamido)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 55939156
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 61179355
(4-phenylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 39580157

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (CID 42943353) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(C)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1C.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The InChIKey is VOKVRXLCIRVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-13-12-14(2)16(4)20(15(13)3)30(28,29)24-17(5)21(26)23-19-8-10-25(11-9-19)22(27)18-6-7-18/h12,17-19,24H,6-11H2,1-5H3,(H,23,26).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide has a molecular weight of 435.59 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 42943353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).