N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide

C22H30N2O3S — CID 26345069

IUPACN-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
SMILESCOc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccs1
InChIInChI=1S/C22H30N2O3S/c1-17-6-3-11-24(15-17)16-18-8-9-19(20(14-18)26-2)27-12-5-10-23-22(25)21-7-4-13-28-21/h4,7-9,13-14,17H,3,5-6,10-12,15-16H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyWCOKROSCDJIRSM-KRWDZBQOSA-N
MW402.56 g/mol
LogP4.19
Rot. Bonds9

About N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide

N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide (PubChem CID 26345069) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
PubChem CID26345069
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
SMILESCOc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccs1
InChIInChI=1S/C22H30N2O3S/c1-17-6-3-11-24(15-17)16-18-8-9-19(20(14-18)26-2)27-12-5-10-23-22(25)21-7-4-13-28-21/h4,7-9,13-14,17H,3,5-6,10-12,15-16H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyWCOKROSCDJIRSM-KRWDZBQOSA-N
XLogP4.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-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

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
CID 84559141
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
(2S)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55938910
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
(3S)-1-[[4-(3-chloropropoxy)-3-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100625628
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
N-[4-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 86965609
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112975321
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide (CID 26345069) is N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide is COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?
The InChIKey is WCOKROSCDJIRSM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-17-6-3-11-24(15-17)16-18-8-9-19(20(14-18)26-2)27-12-5-10-23-22(25)21-7-4-13-28-21/h4,7-9,13-14,17H,3,5-6,10-12,15-16H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?
N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxy-4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 26345069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).