N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide

C20H26N2O4S — CID 55653851

IUPACN-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)CCNC(=O)c2ccsc2)ccc1OC(C)C
InChIInChI=1S/C20H26N2O4S/c1-13(2)26-17-6-5-15(11-18(17)25-4)14(3)22-19(23)7-9-21-20(24)16-8-10-27-12-16/h5-6,8,10-14H,7,9H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyLSXBPMBDEBUBRC-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.54
Rot. Bonds9

About N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55653851) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55653851
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)CCNC(=O)c2ccsc2)ccc1OC(C)C
InChIInChI=1S/C20H26N2O4S/c1-13(2)26-17-6-5-15(11-18(17)25-4)14(3)22-19(23)7-9-21-20(24)16-8-10-27-12-16/h5-6,8,10-14H,7,9H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyLSXBPMBDEBUBRC-UHFFFAOYSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-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-[3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 39966706
N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 39966705
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 46460934
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 39958882
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 47055582
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 46609486
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 55653851) is N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide is COc1cc(C(C)NC(=O)CCNC(=O)c2ccsc2)ccc1OC(C)C.
What is the InChIKey of N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is LSXBPMBDEBUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13(2)26-17-6-5-15(11-18(17)25-4)14(3)22-19(23)7-9-21-20(24)16-8-10-27-12-16/h5-6,8,10-14H,7,9H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55653851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).