N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide

C22H25N3O4S2 — CID 30501163

IUPACN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C22H25N3O4S2/c1-4-25(5-2)19-11-10-17(23-22(26)16-12-13-30-15-16)14-21(19)31(27,28)24-18-8-6-7-9-20(18)29-3/h6-15,24H,4-5H2,1-3H3,(H,23,26)
InChIKeyVVQJWTUOQJOHJL-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.66
Rot. Bonds9

About N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide

N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 30501163) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
PubChem CID30501163
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C22H25N3O4S2/c1-4-25(5-2)19-11-10-17(23-22(26)16-12-13-30-15-16)14-21(19)31(27,28)24-18-8-6-7-9-20(18)29-3/h6-15,24H,4-5H2,1-3H3,(H,23,26)
InChIKeyVVQJWTUOQJOHJL-UHFFFAOYSA-N
XLogP4.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 4852496
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 26056890
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide (CID 30501163) is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1OC.
What is the InChIKey of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is VVQJWTUOQJOHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-4-25(5-2)19-11-10-17(23-22(26)16-12-13-30-15-16)14-21(19)31(27,28)24-18-8-6-7-9-20(18)29-3/h6-15,24H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 30501163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).