tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate

C17H26N2O4S — CID 19100804

IUPACtert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1scc(C2CC2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4S/c1-16(2,3)22-14(20)18-12-11(10-7-8-10)9-24-13(12)19-15(21)23-17(4,5)6/h9-10H,7-8H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyRVQVNJXJSZMBAM-UHFFFAOYSA-N
MW354.47 g/mol
LogP5.32
Rot. Bonds3

About tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate

tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate (PubChem CID 19100804) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
PubChem CID19100804
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Nametert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1scc(C2CC2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4S/c1-16(2,3)22-14(20)18-12-11(10-7-8-10)9-24-13(12)19-15(21)23-17(4,5)6/h9-10H,7-8H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyRVQVNJXJSZMBAM-UHFFFAOYSA-N
XLogP5.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
CID 165452073
tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
CID 155375435
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
CID 19100734
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
methyl 5-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
CID 162346378
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
methyl 5-(4-methoxypiperidin-1-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylate
CID 175404910
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
ethyl 2-[(2-amino-2-methylbutanoyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 79792134
tert-butyl N-[4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate (CID 19100804) is tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate is CC(C)(C)OC(=O)Nc1scc(C2CC2)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate?
The InChIKey is RVQVNJXJSZMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-16(2,3)22-14(20)18-12-11(10-7-8-10)9-24-13(12)19-15(21)23-17(4,5)6/h9-10H,7-8H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate?
tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate has a molecular weight of 354.47 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate is sourced from PubChem (CID 19100804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).