5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride

C26H42ClN3O3S — CID 153395369

IUPAC5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCCN(CC)C(C)Oc1ccc(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)s2)cc1OC.Cl
InChIInChI=1S/C26H41N3O3S.ClH/c1-9-28(10-2)20(7)32-22-12-11-21(17-23(22)31-8)24-13-14-25(33-24)26(30)27-15-16-29(18(3)4)19(5)6;/h11-14,17-20H,9-10,15-16H2,1-8H3,(H,27,30);1H
InChIKeySDRWDRNHTFKKPQ-UHFFFAOYSA-N
MW512.16 g/mol
LogP5.76
Rot. Bonds13

About 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride

5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 153395369) has the molecular formula C26H42ClN3O3S and a molecular weight of 512.16 g/mol. Its IUPAC name is 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID153395369
Molecular FormulaC26H42ClN3O3S
Molecular Weight512.16 g/mol
Exact Mass511.26
IUPAC Name5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCCN(CC)C(C)Oc1ccc(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)s2)cc1OC.Cl
InChIInChI=1S/C26H41N3O3S.ClH/c1-9-28(10-2)20(7)32-22-12-11-21(17-23(22)31-8)24-13-14-25(33-24)26(30)27-15-16-29(18(3)4)19(5)6;/h11-14,17-20H,9-10,15-16H2,1-8H3,(H,27,30);1H
InChIKeySDRWDRNHTFKKPQ-UHFFFAOYSA-N
XLogP5.76
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.16
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 146303450
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CID 34819371
N-[3-(dimethylamino)propyl]-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 177365606
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
CID 18160783
2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid
CID 167771866
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 46082797
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 117088911

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride (CID 153395369) is 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride is CCN(CC)C(C)Oc1ccc(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)s2)cc1OC.Cl.
What is the InChIKey of 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is SDRWDRNHTFKKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3S.ClH/c1-9-28(10-2)20(7)32-22-12-11-21(17-23(22)31-8)24-13-14-25(33-24)26(30)27-15-16-29(18(3)4)19(5)6;/h11-14,17-20H,9-10,15-16H2,1-8H3,(H,27,30);1H.
What are the key properties of 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 512.16 g/mol, XLogP of 5.76, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 153395369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).