N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide

C17H19N3O3S2 — CID 49370056

IUPACN,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)s1
InChIInChI=1S/C17H19N3O3S2/c1-12-4-7-17(24-12)25(22,23)18-14-5-6-15-13(10-14)8-9-20(15)11-16(21)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyGVSHHSPHFZZADM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.90
Rot. Bonds5

About N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide

N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide (PubChem CID 49370056) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide
PubChem CID49370056
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)s1
InChIInChI=1S/C17H19N3O3S2/c1-12-4-7-17(24-12)25(22,23)18-14-5-6-15-13(10-14)8-9-20(15)11-16(21)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyGVSHHSPHFZZADM-UHFFFAOYSA-N
XLogP2.90
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide (CID 49370056) is N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)s1.
What is the InChIKey of N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide?
The InChIKey is GVSHHSPHFZZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-12-4-7-17(24-12)25(22,23)18-14-5-6-15-13(10-14)8-9-20(15)11-16(21)19(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide?
N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(5-methylthiophen-2-yl)sulfonylamino]indol-1-yl]acetamide is sourced from PubChem (CID 49370056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).