1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea

C16H23N3O3S — CID 16917994

IUPAC1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
SMILESCc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NC(C)(C)C
InChIInChI=1S/C16H23N3O3S/c1-11-14(12-7-5-6-8-13(12)18-11)23(21,22)10-9-17-15(20)19-16(2,3)4/h5-8,18H,9-10H2,1-4H3,(H2,17,19,20)
InChIKeyZUZZGHLWACRGQE-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.35
Rot. Bonds4

About 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea

1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea (PubChem CID 16917994) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
PubChem CID16917994
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
SMILESCc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NC(C)(C)C
InChIInChI=1S/C16H23N3O3S/c1-11-14(12-7-5-6-8-13(12)18-11)23(21,22)10-9-17-15(20)19-16(2,3)4/h5-8,18H,9-10H2,1-4H3,(H2,17,19,20)
InChIKeyZUZZGHLWACRGQE-UHFFFAOYSA-N
XLogP2.35
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]-3-(2-methylphenyl)urea
CID 16918036
1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
CID 16918037
2-methyl-1H-indole-3-sulfonic acid
CID 54301014
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
CID 169468877
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide
CID 113211513
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea (CID 16917994) is 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea is Cc1[nH]c2ccccc2c1S(=O)(=O)CCNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
The InChIKey is ZUZZGHLWACRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11-14(12-7-5-6-8-13(12)18-11)23(21,22)10-9-17-15(20)19-16(2,3)4/h5-8,18H,9-10H2,1-4H3,(H2,17,19,20).
What are the key properties of 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea?
1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea has a molecular weight of 337.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea is sourced from PubChem (CID 16917994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).