N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide

C24H26N2O4S — CID 27865916

IUPACN-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)CCCNC(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-29-21-15-19(11-12-20(21)30-17-18-7-3-2-4-8-18)16-26-23(27)10-5-13-25-24(28)22-9-6-14-31-22/h2-4,6-9,11-12,14-15H,5,10,13,16-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyBYXXKFJSNJSLKR-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.16
Rot. Bonds11

About N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 27865916) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID27865916
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)CCCNC(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-29-21-15-19(11-12-20(21)30-17-18-7-3-2-4-8-18)16-26-23(27)10-5-13-25-24(28)22-9-6-14-31-22/h2-4,6-9,11-12,14-15H,5,10,13,16-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyBYXXKFJSNJSLKR-UHFFFAOYSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55930691
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
CID 55364470
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24574969

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide (CID 27865916) is N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide is COc1cc(CNC(=O)CCCNC(=O)c2cccs2)ccc1OCc1ccccc1.
What is the InChIKey of N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is BYXXKFJSNJSLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-29-21-15-19(11-12-20(21)30-17-18-7-3-2-4-8-18)16-26-23(27)10-5-13-25-24(28)22-9-6-14-31-22/h2-4,6-9,11-12,14-15H,5,10,13,16-17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 27865916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).