methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate

C18H20N2O5S2 — CID 41320822

IUPACmethyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1c(NC(=O)CSc2ccc(OC)cc2)sc(C)c1C
InChIInChI=1S/C18H20N2O5S2/c1-10-11(2)27-17(15(10)16(22)20-18(23)25-4)19-14(21)9-26-13-7-5-12(24-3)6-8-13/h5-8H,9H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyMHQLTHCATQRFMM-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.60
Rot. Bonds6

About methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate

methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate (PubChem CID 41320822) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
PubChem CID41320822
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Namemethyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1c(NC(=O)CSc2ccc(OC)cc2)sc(C)c1C
InChIInChI=1S/C18H20N2O5S2/c1-10-11(2)27-17(15(10)16(22)20-18(23)25-4)19-14(21)9-26-13-7-5-12(24-3)6-8-13/h5-8H,9H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyMHQLTHCATQRFMM-UHFFFAOYSA-N
XLogP3.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
CID 41320632
methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 41340119
ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7546117
methyl 2-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19730731
6-O-ethyl 3-O-methyl 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 16811092
methyl N-[4,5-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 7520995
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
methyl 5-methyl-4-phenyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 1225581
ethyl N-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl]carbamate
CID 41086630
ethyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3273887
methyl 2-[[2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 17306953
ethyl 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 41320597

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate (CID 41320822) is methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1c(NC(=O)CSc2ccc(OC)cc2)sc(C)c1C.
What is the InChIKey of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate?
The InChIKey is MHQLTHCATQRFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-10-11(2)27-17(15(10)16(22)20-18(23)25-4)19-14(21)9-26-13-7-5-12(24-3)6-8-13/h5-8H,9H2,1-4H3,(H,19,21)(H,20,22,23).
What are the key properties of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate?
methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate has a molecular weight of 408.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate is sourced from PubChem (CID 41320822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).