4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide

C18H24ClN3OS — CID 75405279

IUPAC4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC1CC(C)CN(CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1
InChIInChI=1S/C18H24ClN3OS/c1-12-7-13(2)11-22(10-12)6-5-21-18(23)15-9-20-8-14(15)16-3-4-17(19)24-16/h3-4,8-9,12-13,20H,5-7,10-11H2,1-2H3,(H,21,23)
InChIKeyQDLGEZSFFWEKKR-UHFFFAOYSA-N
MW365.93 g/mol
LogP4.10
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 75405279) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID75405279
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC1CC(C)CN(CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1
InChIInChI=1S/C18H24ClN3OS/c1-12-7-13(2)11-22(10-12)6-5-21-18(23)15-9-20-8-14(15)16-3-4-17(19)24-16/h3-4,8-9,12-13,20H,5-7,10-11H2,1-2H3,(H,21,23)
InChIKeyQDLGEZSFFWEKKR-UHFFFAOYSA-N
XLogP4.10
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide
CID 52537373
N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
CID 47517698
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
CID 58977021
2-bromo-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-fluorobenzamide
CID 51947889
1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55715544
4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 47516911
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
CID 94188113
4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 136572415
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 122175883
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94025908

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 75405279) is 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide is CC1CC(C)CN(CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QDLGEZSFFWEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-12-7-13(2)11-22(10-12)6-5-21-18(23)15-9-20-8-14(15)16-3-4-17(19)24-16/h3-4,8-9,12-13,20H,5-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 365.93 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75405279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).