tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate

C15H24N2O3S — CID 71986091

IUPACtert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
SMILESCc1ccsc1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-10-7-8-21-11(10)12(18)16-9-15(5,6)17-13(19)20-14(2,3)4/h7-8H,9H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyFGDQETJDZYMULP-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.09
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate (PubChem CID 71986091) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
PubChem CID71986091
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nametert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
SMILESCc1ccsc1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-10-7-8-21-11(10)12(18)16-9-15(5,6)17-13(19)20-14(2,3)4/h7-8H,9H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyFGDQETJDZYMULP-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 75496204
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
CID 95933406
tert-butyl N-[1-[(3,4-difluorobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668981
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 107845769
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
CID 103895410
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668964
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 169466876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate (CID 71986091) is tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate is Cc1ccsc1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate?
The InChIKey is FGDQETJDZYMULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-7-8-21-11(10)12(18)16-9-15(5,6)17-13(19)20-14(2,3)4/h7-8H,9H2,1-6H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate has a molecular weight of 312.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 71986091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).