methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate

C17H18N2O4S2 — CID 41147034

IUPACmethyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1cccc(SC(C)C)c1
InChIInChI=1S/C17H18N2O4S2/c1-10(2)25-12-6-4-5-11(9-12)14(20)18-16-13(7-8-24-16)15(21)19-17(22)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyBMDJOQIXOIFUQE-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.00
Rot. Bonds5

About methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate

methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 41147034) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID41147034
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Namemethyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1cccc(SC(C)C)c1
InChIInChI=1S/C17H18N2O4S2/c1-10(2)25-12-6-4-5-11(9-12)14(20)18-16-13(7-8-24-16)15(21)19-17(22)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyBMDJOQIXOIFUQE-UHFFFAOYSA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 41147034) is methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)c1cccc(SC(C)C)c1.
What is the InChIKey of methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is BMDJOQIXOIFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-10(2)25-12-6-4-5-11(9-12)14(20)18-16-13(7-8-24-16)15(21)19-17(22)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 378.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 41147034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).