N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide

C22H31N3O4S — CID 55930691

IUPACN-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C22H31N3O4S/c1-4-25(5-2)12-13-29-18-9-8-17(15-19(18)28-3)16-24-21(26)10-11-23-22(27)20-7-6-14-30-20/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUACDLMQKLFFQPK-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.91
Rot. Bonds13

About N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 55930691) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID55930691
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C22H31N3O4S/c1-4-25(5-2)12-13-29-18-9-8-17(15-19(18)28-3)16-24-21(26)10-11-23-22(27)20-7-6-14-30-20/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUACDLMQKLFFQPK-UHFFFAOYSA-N
XLogP2.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
N-[3-[[3-(2-ethoxyethoxymethyl)phenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 39587196
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60547647

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 55930691) is N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide is CCN(CC)CCOc1ccc(CNC(=O)CCNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is UACDLMQKLFFQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-4-25(5-2)12-13-29-18-9-8-17(15-19(18)28-3)16-24-21(26)10-11-23-22(27)20-7-6-14-30-20/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 2.91, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 55930691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).