4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide

C15H21BrN2O2S — CID 60955201

IUPAC4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
SMILESCOCCN(C(=O)c1cc(Br)cn1C1CC1)C1CCSC1
InChIInChI=1S/C15H21BrN2O2S/c1-20-6-5-17(13-4-7-21-10-13)15(19)14-8-11(16)9-18(14)12-2-3-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyFWEKVLNVGCWMGQ-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.18
Rot. Bonds6

About 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide (PubChem CID 60955201) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
PubChem CID60955201
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
SMILESCOCCN(C(=O)c1cc(Br)cn1C1CC1)C1CCSC1
InChIInChI=1S/C15H21BrN2O2S/c1-20-6-5-17(13-4-7-21-10-13)15(19)14-8-11(16)9-18(14)12-2-3-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyFWEKVLNVGCWMGQ-UHFFFAOYSA-N
XLogP3.18
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 82950994
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79930252
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
CID 54946058
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564
2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide (CID 60955201) is 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide is COCCN(C(=O)c1cc(Br)cn1C1CC1)C1CCSC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
The InChIKey is FWEKVLNVGCWMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-20-6-5-17(13-4-7-21-10-13)15(19)14-8-11(16)9-18(14)12-2-3-12/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide has a molecular weight of 373.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).