N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C17H21N3O3S — CID 97441908

IUPACN,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-11(2)19-13-9-7-6-8-12(13)16-14(19)10-15(17(21)18(3)4)20(16)24(5,22)23/h6-11H,1-5H3
InChIKeyMJBKLFDVDWYRFX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.69
Rot. Bonds3

About N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441908) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441908
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-11(2)19-13-9-7-6-8-12(13)16-14(19)10-15(17(21)18(3)4)20(16)24(5,22)23/h6-11H,1-5H3
InChIKeyMJBKLFDVDWYRFX-UHFFFAOYSA-N
XLogP2.69
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441908) is N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is MJBKLFDVDWYRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11(2)19-13-9-7-6-8-12(13)16-14(19)10-15(17(21)18(3)4)20(16)24(5,22)23/h6-11H,1-5H3.
What are the key properties of N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).