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

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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).