N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

C18H21N3O4S2 — CID 9157935

IUPACN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21N3O4S2/c1-4-15-11(2)9-16(26-15)18(23)20-19-17(22)13-5-6-14-12(10-13)7-8-21(14)27(3,24)25/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZZZMQQXWKZJIME-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.02
Rot. Bonds4

About N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (PubChem CID 9157935) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
PubChem CID9157935
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21N3O4S2/c1-4-15-11(2)9-16(26-15)18(23)20-19-17(22)13-5-6-14-12(10-13)7-8-21(14)27(3,24)25/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZZZMQQXWKZJIME-UHFFFAOYSA-N
XLogP2.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 100801390
N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819245
N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9183075
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
ethyl 2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5295581
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
CID 9227621
N-[(2R)-2-(ethylamino)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 120652193
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (CID 9157935) is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.
What is the SMILES notation for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The canonical SMILES for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1C.
What is the InChIKey of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The InChIKey is ZZZMQQXWKZJIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-4-15-11(2)9-16(26-15)18(23)20-19-17(22)13-5-6-14-12(10-13)7-8-21(14)27(3,24)25/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide has a molecular weight of 407.52 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is sourced from PubChem (CID 9157935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).