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

C18H20N2O5S — CID 7167065

IUPACmethyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCCCOc1cccc(C(=O)Nc2sccc2C(=O)NC(=O)OC)c1
InChIInChI=1S/C18H20N2O5S/c1-3-4-9-25-13-7-5-6-12(11-13)15(21)19-17-14(8-10-26-17)16(22)20-18(23)24-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyYLSIZXOQBZOASN-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.68
Rot. Bonds7

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

methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7167065) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7167065
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCCCOc1cccc(C(=O)Nc2sccc2C(=O)NC(=O)OC)c1
InChIInChI=1S/C18H20N2O5S/c1-3-4-9-25-13-7-5-6-12(11-13)15(21)19-17-14(8-10-26-17)16(22)20-18(23)24-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyYLSIZXOQBZOASN-UHFFFAOYSA-N
XLogP3.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
CID 7167233
ethyl 2-[(3-butoxybenzoyl)amino]thiophene-3-carboxylate
CID 7166948
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 7167065) is methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate is CCCCOc1cccc(C(=O)Nc2sccc2C(=O)NC(=O)OC)c1.
What is the InChIKey of methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is YLSIZXOQBZOASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-4-9-25-13-7-5-6-12(11-13)15(21)19-17-14(8-10-26-17)16(22)20-18(23)24-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 376.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).