N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide

C17H17N3O2S2 — CID 67101494

IUPACN-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2csc(C#N)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C17H17N3O2S2/c1-11(2)20-9-16(12-6-14(8-18)23-10-12)15-5-4-13(7-17(15)20)19-24(3,21)22/h4-7,9-11,19H,1-3H3
InChIKeyMAODQPUJOJDPCP-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.19
Rot. Bonds4

About N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide

N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 67101494) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID67101494
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2csc(C#N)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C17H17N3O2S2/c1-11(2)20-9-16(12-6-14(8-18)23-10-12)15-5-4-13(7-17(15)20)19-24(3,21)22/h4-7,9-11,19H,1-3H3
InChIKeyMAODQPUJOJDPCP-UHFFFAOYSA-N
XLogP4.19
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24739670
N-[3-(4-nitrophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 67101226
N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 86628684
methyl 4-[6-(methanesulfonamido)-1-propan-2-ylindol-3-yl]benzoate
CID 67101095
N-[3-(3-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 87269312
N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24740150
N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
CID 57442256
N-[3-(4-cyanophenyl)-1-(1-methoxypropan-2-yl)indol-6-yl]methanesulfonamide
CID 67101206
N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
CID 67101302
N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
CID 67101128
N-[3-(4-cyano-2-fluorophenyl)-1-[(2R)-3-methylbutan-2-yl]indol-6-yl]methanesulfonamide
CID 67101141
N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
CID 67101176

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 67101494) is N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide is CC(C)n1cc(-c2csc(C#N)c2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is MAODQPUJOJDPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11(2)20-9-16(12-6-14(8-18)23-10-12)15-5-4-13(7-17(15)20)19-24(3,21)22/h4-7,9-11,19H,1-3H3.
What are the key properties of N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 67101494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).