N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide

C16H17NO3S3 — CID 86264006

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(O)c2cc3ccccc3s2)s1
InChIInChI=1S/C16H17NO3S3/c1-11-7-8-15(21-11)23(19,20)17-10-16(2,18)14-9-12-5-3-4-6-13(12)22-14/h3-9,17-18H,10H2,1-2H3
InChIKeyDNLLVICAYIBUCI-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide (PubChem CID 86264006) has the molecular formula C16H17NO3S3 and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide
PubChem CID86264006
Molecular FormulaC16H17NO3S3
Molecular Weight367.52 g/mol
Exact Mass367.04
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(O)c2cc3ccccc3s2)s1
InChIInChI=1S/C16H17NO3S3/c1-11-7-8-15(21-11)23(19,20)17-10-16(2,18)14-9-12-5-3-4-6-13(12)22-14/h3-9,17-18H,10H2,1-2H3
InChIKeyDNLLVICAYIBUCI-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide (CID 86264006) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(O)c2cc3ccccc3s2)s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is DNLLVICAYIBUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S3/c1-11-7-8-15(21-11)23(19,20)17-10-16(2,18)14-9-12-5-3-4-6-13(12)22-14/h3-9,17-18H,10H2,1-2H3.
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 86264006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).