N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide

C24H26N2O4S — CID 169040987

IUPACN-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide
SMILESCOc1c(CCNC(=O)c2cccs2)cccc1NC(=O)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C24H26N2O4S/c1-15(2)18-14-17(9-10-20(18)27)23(28)26-19-7-4-6-16(22(19)30-3)11-12-25-24(29)21-8-5-13-31-21/h4-10,13-15,27H,11-12H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyARBCTVZQQBGBII-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.81
Rot. Bonds8

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

N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide (PubChem CID 169040987) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide
PubChem CID169040987
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide
SMILESCOc1c(CCNC(=O)c2cccs2)cccc1NC(=O)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C24H26N2O4S/c1-15(2)18-14-17(9-10-20(18)27)23(28)26-19-7-4-6-16(22(19)30-3)11-12-25-24(29)21-8-5-13-31-21/h4-10,13-15,27H,11-12H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyARBCTVZQQBGBII-UHFFFAOYSA-N
XLogP4.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide (CID 169040987) is N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide is COc1c(CCNC(=O)c2cccs2)cccc1NC(=O)c1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is ARBCTVZQQBGBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15(2)18-14-17(9-10-20(18)27)23(28)26-19-7-4-6-16(22(19)30-3)11-12-25-24(29)21-8-5-13-31-21/h4-10,13-15,27H,11-12H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide?
N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 169040987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).