N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide

C22H22N2O4S — CID 30309153

IUPACN-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S/c1-22(2,28-16-8-5-4-6-9-16)21(26)23-15-11-12-17(18(14-15)27-3)24-20(25)19-10-7-13-29-19/h4-14H,1-3H3,(H,23,26)(H,24,25)
InChIKeyIPYFDGBIOWITLU-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.81
Rot. Bonds7

About N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide

N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 30309153) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID30309153
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S/c1-22(2,28-16-8-5-4-6-9-16)21(26)23-15-11-12-17(18(14-15)27-3)24-20(25)19-10-7-13-29-19/h4-14H,1-3H3,(H,23,26)(H,24,25)
InChIKeyIPYFDGBIOWITLU-UHFFFAOYSA-N
XLogP4.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 17111332
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17104933
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
CID 6491060
5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 17117556
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide (CID 30309153) is N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is IPYFDGBIOWITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-22(2,28-16-8-5-4-6-9-16)21(26)23-15-11-12-17(18(14-15)27-3)24-20(25)19-10-7-13-29-19/h4-14H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30309153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).