N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C18H22N2O3S — CID 18093718

IUPACN-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C18H22N2O3S/c1-14-5-3-6-15(13-14)23-11-10-20(2)17(21)8-9-19-18(22)16-7-4-12-24-16/h3-7,12-13H,8-11H2,1-2H3,(H,19,22)
InChIKeyUGZDWYLPXPOXLS-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds8

About N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 18093718) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID18093718
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C18H22N2O3S/c1-14-5-3-6-15(13-14)23-11-10-20(2)17(21)8-9-19-18(22)16-7-4-12-24-16/h3-7,12-13H,8-11H2,1-2H3,(H,19,22)
InChIKeyUGZDWYLPXPOXLS-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18119353
N-[(2S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24552177
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51241859
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 18093718) is N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide is Cc1cccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is UGZDWYLPXPOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-5-3-6-15(13-14)23-11-10-20(2)17(21)8-9-19-18(22)16-7-4-12-24-16/h3-7,12-13H,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 18093718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).