7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

C16H17N3O3S2 — CID 57475958

IUPAC7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
SMILESCC(C)N(c1cccc2cc(C(N)=O)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-10(2)19(24(21,22)14-7-4-8-23-14)13-6-3-5-11-9-12(16(17)20)18-15(11)13/h3-10,18H,1-2H3,(H2,17,20)
InChIKeyMCAXEZSUXOIOOH-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.93
Rot. Bonds5

About 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide (PubChem CID 57475958) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
PubChem CID57475958
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
SMILESCC(C)N(c1cccc2cc(C(N)=O)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-10(2)19(24(21,22)14-7-4-8-23-14)13-6-3-5-11-9-12(16(17)20)18-15(11)13/h3-10,18H,1-2H3,(H2,17,20)
InChIKeyMCAXEZSUXOIOOH-UHFFFAOYSA-N
XLogP2.93
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 57476021
7-[[(E)-1-methylsulfanylprop-1-enyl]sulfanyl-propan-2-ylamino]-1H-indole-2-carboxamide
CID 143310740
2-[2-ethyl-2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carbonyl]hydrazinyl]-2-oxoacetic acid
CID 67109307
N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
CID 59136133
methyl 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 57476138
methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
CID 162024047
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57476293
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-(1-ethoxyethyl)thiophene-2-sulfonamide
CID 67487249
4-benzylsulfanyl-4-[[[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carbonyl]amino]methyl]piperidine-1-carboxylic acid
CID 67486810
N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59135830
2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
CID 60827657

Frequently Asked Questions

What is the IUPAC name of 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide (CID 57475958) is 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide is CC(C)N(c1cccc2cc(C(N)=O)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The InChIKey is MCAXEZSUXOIOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-10(2)19(24(21,22)14-7-4-8-23-14)13-6-3-5-11-9-12(16(17)20)18-15(11)13/h3-10,18H,1-2H3,(H2,17,20).
What are the key properties of 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 57475958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).