N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C19H20N2O3S2 — CID 48866071

IUPACN-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)CN(C)C(=O)c2cccs2)s1
InChIInChI=1S/C19H20N2O3S2/c1-14-7-8-16(26-14)12-21(11-15-5-3-9-24-15)18(22)13-20(2)19(23)17-6-4-10-25-17/h3-10H,11-13H2,1-2H3
InChIKeyHYJZUXUJBRLKLO-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.01
Rot. Bonds7

About N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 48866071) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID48866071
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)CN(C)C(=O)c2cccs2)s1
InChIInChI=1S/C19H20N2O3S2/c1-14-7-8-16(26-14)12-21(11-15-5-3-9-24-15)18(22)13-20(2)19(23)17-6-4-10-25-17/h3-10H,11-13H2,1-2H3
InChIKeyHYJZUXUJBRLKLO-UHFFFAOYSA-N
XLogP4.01
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 48866039
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2-oxazol-3-yl)propanamide
CID 138034221
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 86944481
4-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673186
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 48866094
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 48866071) is N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is Cc1ccc(CN(Cc2ccco2)C(=O)CN(C)C(=O)c2cccs2)s1.
What is the InChIKey of N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is HYJZUXUJBRLKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-14-7-8-16(26-14)12-21(11-15-5-3-9-24-15)18(22)13-20(2)19(23)17-6-4-10-25-17/h3-10H,11-13H2,1-2H3.
What are the key properties of N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 48866071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).