tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate

C19H24N2O3S — CID 177335630

IUPACtert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)24-18(23)21-13-7-12-20-17(22)16-11-10-15(25-16)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyIIGUQUVCLRCRQY-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.06
Rot. Bonds6

About tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate

tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate (PubChem CID 177335630) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate
PubChem CID177335630
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Nametert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)24-18(23)21-13-7-12-20-17(22)16-11-10-15(25-16)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyIIGUQUVCLRCRQY-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate (CID 177335630) is tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate?
The InChIKey is IIGUQUVCLRCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)24-18(23)21-13-7-12-20-17(22)16-11-10-15(25-16)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate?
tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate has a molecular weight of 360.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-phenylthiophene-2-carbonyl)amino]propyl]carbamate is sourced from PubChem (CID 177335630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).