methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate

C16H16N2O5S2 — CID 41320632

IUPACmethyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C16H16N2O5S2/c1-22-10-3-5-11(6-4-10)25-9-13(19)17-15-12(7-8-24-15)14(20)18-16(21)23-2/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyBSRLOKUYEBVEFP-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.98
Rot. Bonds6

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

methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 41320632) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
PubChem CID41320632
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Namemethyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C16H16N2O5S2/c1-22-10-3-5-11(6-4-10)25-9-13(19)17-15-12(7-8-24-15)14(20)18-16(21)23-2/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyBSRLOKUYEBVEFP-UHFFFAOYSA-N
XLogP2.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 41320822
ethyl N-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]thiophene-3-carbonyl]carbamate
CID 41086519
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
methyl N-[2-[(2,4-dimethoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167041
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 44949831
methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167057
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 7847408
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate (CID 41320632) is methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)CSc1ccc(OC)cc1.
What is the InChIKey of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate?
The InChIKey is BSRLOKUYEBVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-22-10-3-5-11(6-4-10)25-9-13(19)17-15-12(7-8-24-15)14(20)18-16(21)23-2/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 380.45 g/mol, XLogP of 2.98, 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]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 41320632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).