N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide

C17H17ClN2OS — CID 32828147

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2OS/c18-16-9-8-13(22-16)11-20-17(21)7-3-4-12-10-19-15-6-2-1-5-14(12)15/h1-2,5-6,8-10,19H,3-4,7,11H2,(H,20,21)
InChIKeyPRGIYNLIRMDYCF-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.52
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide

N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 32828147) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide
PubChem CID32828147
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2OS/c18-16-9-8-13(22-16)11-20-17(21)7-3-4-12-10-19-15-6-2-1-5-14(12)15/h1-2,5-6,8-10,19H,3-4,7,11H2,(H,20,21)
InChIKeyPRGIYNLIRMDYCF-UHFFFAOYSA-N
XLogP4.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide (CID 32828147) is N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is PRGIYNLIRMDYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c18-16-9-8-13(22-16)11-20-17(21)7-3-4-12-10-19-15-6-2-1-5-14(12)15/h1-2,5-6,8-10,19H,3-4,7,11H2,(H,20,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 332.86 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 32828147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).