N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

C24H26N2O4S — CID 22780919

IUPACN-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-16(2)17-7-10-19(11-8-17)30-15-23(27)25-18-9-12-20(21(14-18)29-3)26-24(28)22-6-5-13-31-22/h5-14,16H,4,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLHCPDRZQNWCNJU-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.54
Rot. Bonds9

About N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 22780919) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID22780919
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-16(2)17-7-10-19(11-8-17)30-15-23(27)25-18-9-12-20(21(14-18)29-3)26-24(28)22-6-5-13-31-22/h5-14,16H,4,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLHCPDRZQNWCNJU-UHFFFAOYSA-N
XLogP5.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 3161498
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 17117567
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 7321326
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 22780919) is N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1.
What is the InChIKey of N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is LHCPDRZQNWCNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-16(2)17-7-10-19(11-8-17)30-15-23(27)25-18-9-12-20(21(14-18)29-3)26-24(28)22-6-5-13-31-22/h5-14,16H,4,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22780919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).