N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

C23H32N2O5S — CID 86820089

IUPACN-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCCOC(COCCNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)OCC
InChIInChI=1S/C23H32N2O5S/c1-5-29-20(30-6-2)15-28-13-12-24-22(27)19-11-14-31-23(19)25-21(26)18-9-7-17(8-10-18)16(3)4/h7-11,14,16,20H,5-6,12-13,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyZLEDUXCBJIXLNR-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.27
Rot. Bonds13

About N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 86820089) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID86820089
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC NameN-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCCOC(COCCNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)OCC
InChIInChI=1S/C23H32N2O5S/c1-5-29-20(30-6-2)15-28-13-12-24-22(27)19-11-14-31-23(19)25-21(26)18-9-7-17(8-10-18)16(3)4/h7-11,14,16,20H,5-6,12-13,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyZLEDUXCBJIXLNR-UHFFFAOYSA-N
XLogP4.27
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55963519
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
2-[(4-propan-2-ylbenzoyl)amino]-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 119449720
2-[(4-propan-2-ylbenzoyl)amino]-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119510040
2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 55962173
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60554679
N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride
CID 119408824
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55967083
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide
CID 120655851
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55813579

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (CID 86820089) is N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is CCOC(COCCNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)OCC.
What is the InChIKey of N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is ZLEDUXCBJIXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-5-29-20(30-6-2)15-28-13-12-24-22(27)19-11-14-31-23(19)25-21(26)18-9-7-17(8-10-18)16(3)4/h7-11,14,16,20H,5-6,12-13,15H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 86820089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).