N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C20H29N3O4S — CID 46450682

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1C
InChIInChI=1S/C20H29N3O4S/c1-14-3-6-18(13-15(14)2)28(26,27)21-10-7-19(24)22-17-8-11-23(12-9-17)20(25)16-4-5-16/h3,6,13,16-17,21H,4-5,7-12H2,1-2H3,(H,22,24)
InChIKeyXRBHVRFEAQMKPU-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.49
Rot. Bonds7

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 46450682) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID46450682
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1C
InChIInChI=1S/C20H29N3O4S/c1-14-3-6-18(13-15(14)2)28(26,27)21-10-7-19(24)22-17-8-11-23(12-9-17)20(25)16-4-5-16/h3,6,13,16-17,21H,4-5,7-12H2,1-2H3,(H,22,24)
InChIKeyXRBHVRFEAQMKPU-UHFFFAOYSA-N
XLogP1.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide 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-[3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 56512576
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 11919981
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55932978
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]propanamide
CID 56569415
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 46450682) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1C.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is XRBHVRFEAQMKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-14-3-6-18(13-15(14)2)28(26,27)21-10-7-19(24)22-17-8-11-23(12-9-17)20(25)16-4-5-16/h3,6,13,16-17,21H,4-5,7-12H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 407.54 g/mol, XLogP of 1.49, 7 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]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 46450682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).