N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide

C14H21NOS2 — CID 91841758

IUPACN-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C2CCSCC2)cs1
InChIInChI=1S/C14H21NOS2/c1-3-4-13-9-11(10-18-13)14(16)15(2)12-5-7-17-8-6-12/h9-10,12H,3-8H2,1-2H3
InChIKeyKHTNESCORRHGJD-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide

N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide (PubChem CID 91841758) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide
PubChem CID91841758
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC NameN-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C2CCSCC2)cs1
InChIInChI=1S/C14H21NOS2/c1-3-4-13-9-11(10-18-13)14(16)15(2)12-5-7-17-8-6-12/h9-10,12H,3-8H2,1-2H3
InChIKeyKHTNESCORRHGJD-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide?
The IUPAC name of N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide (CID 91841758) is N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide?
The canonical SMILES for N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide is CCCc1cc(C(=O)N(C)C2CCSCC2)cs1.
What is the InChIKey of N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide?
The InChIKey is KHTNESCORRHGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-3-4-13-9-11(10-18-13)14(16)15(2)12-5-7-17-8-6-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide?
N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-N-(thian-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 91841758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).