4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide

C16H21BrN2OS — CID 79491715

IUPAC4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)C(C)Cc1cccs1
InChIInChI=1S/C16H21BrN2OS/c1-4-7-19-11-13(17)10-15(19)16(20)18(3)12(2)9-14-6-5-8-21-14/h5-6,8,10-12H,4,7,9H2,1-3H3
InChIKeyRHDPVQCMCCZLHN-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.43
Rot. Bonds6

About 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide

4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide (PubChem CID 79491715) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
PubChem CID79491715
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC Name4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)C(C)Cc1cccs1
InChIInChI=1S/C16H21BrN2OS/c1-4-7-19-11-13(17)10-15(19)16(20)18(3)12(2)9-14-6-5-8-21-14/h5-6,8,10-12H,4,7,9H2,1-3H3
InChIKeyRHDPVQCMCCZLHN-UHFFFAOYSA-N
XLogP4.43
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79494376
4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 54878069
4-bromo-N-(1-cyanopropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 63224601
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283800
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 113255783

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide (CID 79491715) is 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(C)C(C)Cc1cccs1.
What is the InChIKey of 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide?
The InChIKey is RHDPVQCMCCZLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-4-7-19-11-13(17)10-15(19)16(20)18(3)12(2)9-14-6-5-8-21-14/h5-6,8,10-12H,4,7,9H2,1-3H3.
What are the key properties of 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide?
4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide has a molecular weight of 369.33 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 79491715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).