N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C22H22N2O4S — CID 3161512

IUPACN-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S/c1-14(2)28-17-9-6-15(7-10-17)21(25)23-16-8-11-18(19(13-16)27-3)24-22(26)20-5-4-12-29-20/h4-14H,1-3H3,(H,23,25)(H,24,26)
InChIKeyVERWYFSGENIEIK-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.05
Rot. Bonds7

About N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 3161512) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID3161512
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S/c1-14(2)28-17-9-6-15(7-10-17)21(25)23-16-8-11-18(19(13-16)27-3)24-22(26)20-5-4-12-29-20/h4-14H,1-3H3,(H,23,25)(H,24,26)
InChIKeyVERWYFSGENIEIK-UHFFFAOYSA-N
XLogP5.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
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-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17104933
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 17111332
N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 22780919
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 3161512) is N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is VERWYFSGENIEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-14(2)28-17-9-6-15(7-10-17)21(25)23-16-8-11-18(19(13-16)27-3)24-22(26)20-5-4-12-29-20/h4-14H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 5.05, 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-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).