N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide

C14H23ClN2OS — CID 119659793

IUPACN-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1cc(Cl)cs1
InChIInChI=1S/C14H23ClN2OS/c1-10(2)13(16)6-7-17(3)14(18)5-4-12-8-11(15)9-19-12/h8-10,13H,4-7,16H2,1-3H3
InChIKeyOOVBPJOTTQHQHC-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.17
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide

N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide (PubChem CID 119659793) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide
PubChem CID119659793
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC NameN-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1cc(Cl)cs1
InChIInChI=1S/C14H23ClN2OS/c1-10(2)13(16)6-7-17(3)14(18)5-4-12-8-11(15)9-19-12/h8-10,13H,4-7,16H2,1-3H3
InChIKeyOOVBPJOTTQHQHC-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide (CID 119659793) is N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide is CC(C)C(N)CCN(C)C(=O)CCc1cc(Cl)cs1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide?
The InChIKey is OOVBPJOTTQHQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-10(2)13(16)6-7-17(3)14(18)5-4-12-8-11(15)9-19-12/h8-10,13H,4-7,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide has a molecular weight of 302.87 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 119659793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).