2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide

C15H17N3O3S2 — CID 71888483

IUPAC2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c(C)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-7-13(10(2)22-9)15(19)17-12-4-3-11-5-6-18(14(11)8-12)23(16,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyVBUZBHWOWIVAOV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.18
Rot. Bonds3

About 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide

2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide (PubChem CID 71888483) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide
PubChem CID71888483
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c(C)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-7-13(10(2)22-9)15(19)17-12-4-3-11-5-6-18(14(11)8-12)23(16,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyVBUZBHWOWIVAOV-UHFFFAOYSA-N
XLogP2.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 99507210
2-(cyclopropylmethoxy)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 51090603
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
CID 7517742
2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 139016612
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 97014074
trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 136582526
3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
CID 166261429
2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 18196740

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide (CID 71888483) is 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide?
The InChIKey is VBUZBHWOWIVAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-9-7-13(10(2)22-9)15(19)17-12-4-3-11-5-6-18(14(11)8-12)23(16,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,17,19)(H2,16,20,21).
What are the key properties of 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide?
2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide is sourced from PubChem (CID 71888483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).