N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide

C21H35N3O5S — CID 55683897

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)NC(C)c2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C21H35N3O5S/c1-6-13-30(26,27)23-18-9-11-24(12-10-18)21(25)22-16(4)17-7-8-19(29-15(2)3)20(14-17)28-5/h7-8,14-16,18,23H,6,9-13H2,1-5H3,(H,22,25)
InChIKeyMWKORMXYYQPTHA-UHFFFAOYSA-N
MW441.59 g/mol
LogP3.05
Rot. Bonds9

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide (PubChem CID 55683897) has the molecular formula C21H35N3O5S and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide
PubChem CID55683897
Molecular FormulaC21H35N3O5S
Molecular Weight441.59 g/mol
Exact Mass441.23
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)NC(C)c2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C21H35N3O5S/c1-6-13-30(26,27)23-18-9-11-24(12-10-18)21(25)22-16(4)17-7-8-19(29-15(2)3)20(14-17)28-5/h7-8,14-16,18,23H,6,9-13H2,1-5H3,(H,22,25)
InChIKeyMWKORMXYYQPTHA-UHFFFAOYSA-N
XLogP3.05
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide 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

1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 56808444
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 112823432
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119721211
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46460923
N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 51119931
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 122560161

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide (CID 55683897) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide is CCCS(=O)(=O)NC1CCN(C(=O)NC(C)c2ccc(OC(C)C)c(OC)c2)CC1.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is MWKORMXYYQPTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O5S/c1-6-13-30(26,27)23-18-9-11-24(12-10-18)21(25)22-16(4)17-7-8-19(29-15(2)3)20(14-17)28-5/h7-8,14-16,18,23H,6,9-13H2,1-5H3,(H,22,25).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 441.59 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 55683897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).