(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

C16H18N2O2S3 — CID 16938161

IUPAC(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C16H18N2O2S3/c1-4-18-13-8-7-12(11(2)3)10-14(13)22-16(18)17-23(19,20)15-6-5-9-21-15/h5-11H,4H2,1-3H3/b17-16-
InChIKeyCRTDNPBCHNMGHW-MSUUIHNZSA-N
MW366.53 g/mol
LogP4.20
Rot. Bonds4

About (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 16938161) has the molecular formula C16H18N2O2S3 and a molecular weight of 366.53 g/mol. Its IUPAC name is (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID16938161
Molecular FormulaC16H18N2O2S3
Molecular Weight366.53 g/mol
Exact Mass366.05
IUPAC Name(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C16H18N2O2S3/c1-4-18-13-8-7-12(11(2)3)10-14(13)22-16(18)17-23(19,20)15-6-5-9-21-15/h5-11H,4H2,1-3H3/b17-16-
InChIKeyCRTDNPBCHNMGHW-MSUUIHNZSA-N
XLogP4.20
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 16938161) is (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is CCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc(C(C)C)ccc21.
What is the InChIKey of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is CRTDNPBCHNMGHW-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2O2S3/c1-4-18-13-8-7-12(11(2)3)10-14(13)22-16(18)17-23(19,20)15-6-5-9-21-15/h5-11H,4H2,1-3H3/b17-16-.
What are the key properties of (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 366.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 16938161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).