2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate

C18H22N2O2S — CID 7264058

IUPAC2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate
SMILESCC(C)CO/C(=N\C(=O)c1cccs1)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-14(2)13-22-18(19-17(21)16-10-7-11-23-16)20(3)12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3/b19-18-
InChIKeyXPQTYPHMVAGRBE-HNENSFHCSA-N
MW330.45 g/mol
LogP4.05
Rot. Bonds5

About 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate

2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate (PubChem CID 7264058) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate.

Molecular Properties

Compound Name2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate
PubChem CID7264058
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate
SMILESCC(C)CO/C(=N\C(=O)c1cccs1)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-14(2)13-22-18(19-17(21)16-10-7-11-23-16)20(3)12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3/b19-18-
InChIKeyXPQTYPHMVAGRBE-HNENSFHCSA-N
XLogP4.05
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate
CID 7410045
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] thiophene-2-carboxylate
CID 1089166
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24662353
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993
2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
CID 72612293
2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7296039
ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 95330103
2-methylpropyl N-[(3-aminophenyl)methyl]-N-methylcarbamate
CID 43457906
2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
CID 70634885
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628
N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
CID 2746671
2-methylpropyl N-benzyl-N-[3-[benzyl(2-methylpropoxycarbonyl)amino]-2-oxopropyl]carbamate
CID 10504485

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate?
The IUPAC name of 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate (CID 7264058) is 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate.
What is the SMILES notation for 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate?
The canonical SMILES for 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate is CC(C)CO/C(=N\C(=O)c1cccs1)N(C)Cc1ccccc1.
What is the InChIKey of 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate?
The InChIKey is XPQTYPHMVAGRBE-HNENSFHCSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(2)13-22-18(19-17(21)16-10-7-11-23-16)20(3)12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3/b19-18-.
What are the key properties of 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate?
2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate has a molecular weight of 330.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate is sourced from PubChem (CID 7264058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).