N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide

C18H20ClN3OS — CID 11233768

IUPACN-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C18H20ClN3OS/c19-17-6-4-15(24-17)12-22-10-7-13-11-14(3-5-16(13)22)20-18(23)21-8-1-2-9-21/h3-6,11H,1-2,7-10,12H2,(H,20,23)
InChIKeyXRJGFWOKHCXSEE-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.59
Rot. Bonds3

About N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide

N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 11233768) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide
PubChem CID11233768
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC NameN-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C18H20ClN3OS/c19-17-6-4-15(24-17)12-22-10-7-13-11-14(3-5-16(13)22)20-18(23)21-8-1-2-9-21/h3-6,11H,1-2,7-10,12H2,(H,20,23)
InChIKeyXRJGFWOKHCXSEE-UHFFFAOYSA-N
XLogP4.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[3-Methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25263992
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739364
1-(5-Chloro-2-methylphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016718
N-[2-amino-5-(5-chlorothiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 71465773
1-(1-Acetyl-2,3-dihydroindol-5-yl)-3-(thiophen-2-ylmethyl)thiourea
CID 2727573
(2S)-N-(5-chloro-2-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503122
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 24736849
1-[(5-Chlorothiophen-2-yl)methyl]-1-ethyl-3-[2-(trifluoromethyl)phenyl]urea
CID 45888562
2-chloro-N-(2-(trifluoromethyl)phenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide
CID 122162070
1-[(5-Chlorothiophen-2-yl)methyl]-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 133713657
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 133713667
3-(m-chlorophenyl)-1-[(S)-2-(1-indolinyl)-2-(2-thienyl)ethyl]urea
CID 7179246

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide (CID 11233768) is N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1)N1CCCC1.
What is the InChIKey of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is XRJGFWOKHCXSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c19-17-6-4-15(24-17)12-22-10-7-13-11-14(3-5-16(13)22)20-18(23)21-8-1-2-9-21/h3-6,11H,1-2,7-10,12H2,(H,20,23).
What are the key properties of N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide?
N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 361.90 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroindol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 11233768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).