4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide

C18H21N3O4S — CID 97441774

IUPAC4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NC[C@@H]1CCCO1)n2S(C)(=O)=O
InChIInChI=1S/C18H21N3O4S/c1-20-14-8-4-3-7-13(14)17-15(20)10-16(21(17)26(2,23)24)18(22)19-11-12-6-5-9-25-12/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyNFTKGBRYVFAIHL-LBPRGKRZSA-N
MW375.45 g/mol
LogP1.85
Rot. Bonds4

About 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide

4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441774) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441774
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NC[C@@H]1CCCO1)n2S(C)(=O)=O
InChIInChI=1S/C18H21N3O4S/c1-20-14-8-4-3-7-13(14)17-15(20)10-16(21(17)26(2,23)24)18(22)19-11-12-6-5-9-25-12/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyNFTKGBRYVFAIHL-LBPRGKRZSA-N
XLogP1.85
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide with MolForge

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Related Compounds

1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-propylfuran-3-carboxamide
CID 27244468
7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217363
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2955389
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 75767297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide (CID 97441774) is 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide is Cn1c2ccccc2c2c1cc(C(=O)NC[C@@H]1CCCO1)n2S(C)(=O)=O.
What is the InChIKey of 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is NFTKGBRYVFAIHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-20-14-8-4-3-7-13(14)17-15(20)10-16(21(17)26(2,23)24)18(22)19-11-12-6-5-9-25-12/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide?
4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).