1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea

C16H17N3O3S2 — CID 16918010

IUPAC1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea
SMILESCc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)Nc1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-11-15(12-5-2-3-6-13(12)18-11)24(21,22)10-8-17-16(20)19-14-7-4-9-23-14/h2-7,9,18H,8,10H2,1H3,(H2,17,19,20)
InChIKeyFSAPDFGLYFHBOD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.13
Rot. Bonds5

About 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea

1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea (PubChem CID 16918010) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea
PubChem CID16918010
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea
SMILESCc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)Nc1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-11-15(12-5-2-3-6-13(12)18-11)24(21,22)10-8-17-16(20)19-14-7-4-9-23-14/h2-7,9,18H,8,10H2,1H3,(H2,17,19,20)
InChIKeyFSAPDFGLYFHBOD-UHFFFAOYSA-N
XLogP3.13
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea (CID 16918010) is 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea is Cc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)Nc1cccs1.
What is the InChIKey of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea?
The InChIKey is FSAPDFGLYFHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-11-15(12-5-2-3-6-13(12)18-11)24(21,22)10-8-17-16(20)19-14-7-4-9-23-14/h2-7,9,18H,8,10H2,1H3,(H2,17,19,20).
What are the key properties of 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea?
1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea has a molecular weight of 363.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 16918010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).