2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide

C17H19N3O2S — CID 11724130

IUPAC2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide
SMILESCc1ccc2c(c1)-c1sc(NC(N)=O)c(C(N)=O)c1CC2(C)C
InChIInChI=1S/C17H19N3O2S/c1-8-4-5-11-9(6-8)13-10(7-17(11,2)3)12(14(18)21)15(23-13)20-16(19)22/h4-6H,7H2,1-3H3,(H2,18,21)(H3,19,20,22)
InChIKeyCEWWVWYUZQSVPF-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.15
Rot. Bonds2

About 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide

2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide (PubChem CID 11724130) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide
PubChem CID11724130
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide
SMILESCc1ccc2c(c1)-c1sc(NC(N)=O)c(C(N)=O)c1CC2(C)C
InChIInChI=1S/C17H19N3O2S/c1-8-4-5-11-9(6-8)13-10(7-17(11,2)3)12(14(18)21)15(23-13)20-16(19)22/h4-6H,7H2,1-3H3,(H2,18,21)(H3,19,20,22)
InChIKeyCEWWVWYUZQSVPF-UHFFFAOYSA-N
XLogP3.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10017745
6-bromo-2-(carbamoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10474054
2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7177264
2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610229
2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10427786
2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
CID 11380311
2-(carbamoylamino)-9-methoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10335967
2-(carbamoylamino)-7-(1-phenylethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252913
2-(carbamoylamino)-9-chloro-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10336215
3,3,6-trimethyl-2H-inden-1-one
CID 594538
2-(carbamoylamino)-6-cyclopentyl-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252732
2-[(2,4-dimethylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5167873

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide (CID 11724130) is 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide is Cc1ccc2c(c1)-c1sc(NC(N)=O)c(C(N)=O)c1CC2(C)C.
What is the InChIKey of 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide?
The InChIKey is CEWWVWYUZQSVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-8-4-5-11-9(6-8)13-10(7-17(11,2)3)12(14(18)21)15(23-13)20-16(19)22/h4-6H,7H2,1-3H3,(H2,18,21)(H3,19,20,22).
What are the key properties of 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide?
2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5,5,8-trimethyl-4H-benzo[g][1]benzothiole-3-carboxamide is sourced from PubChem (CID 11724130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).