N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H23N3O3S — CID 55516916

IUPACN-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(CCNC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cccc(C)c1
InChIInChI=1S/C21H23N3O3S/c1-3-24(16-7-4-6-15(2)14-16)12-11-22-21(26)18-9-10-19(28-18)23-20(25)17-8-5-13-27-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyPVEPFJJGGFQPRA-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.16
Rot. Bonds8

About N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55516916) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55516916
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(CCNC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cccc(C)c1
InChIInChI=1S/C21H23N3O3S/c1-3-24(16-7-4-6-15(2)14-16)12-11-22-21(26)18-9-10-19(28-18)23-20(25)17-8-5-13-27-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyPVEPFJJGGFQPRA-UHFFFAOYSA-N
XLogP4.16
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 94049859
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55516916) is N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CCN(CCNC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cccc(C)c1.
What is the InChIKey of N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PVEPFJJGGFQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-24(16-7-4-6-15(2)14-16)12-11-22-21(26)18-9-10-19(28-18)23-20(25)17-8-5-13-27-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55516916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).