N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C22H25FN4O3S3 — CID 59136044

IUPACN-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCF)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H25FN4O3S3/c23-6-7-27(33(28,29)20-5-2-12-31-20)19-4-1-3-16-13-18(25-21(16)19)22-24-14-17(32-22)15-26-8-10-30-11-9-26/h1-5,12-13,17,25H,6-11,14-15H2
InChIKeySWHAFIZFUCVHNT-UHFFFAOYSA-N
MW508.67 g/mol
LogP3.59
Rot. Bonds8

About N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59136044) has the molecular formula C22H25FN4O3S3 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID59136044
Molecular FormulaC22H25FN4O3S3
Molecular Weight508.67 g/mol
Exact Mass508.11
IUPAC NameN-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCF)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H25FN4O3S3/c23-6-7-27(33(28,29)20-5-2-12-31-20)19-4-1-3-16-13-18(25-21(16)19)22-24-14-17(32-22)15-26-8-10-30-11-9-26/h1-5,12-13,17,25H,6-11,14-15H2
InChIKeySWHAFIZFUCVHNT-UHFFFAOYSA-N
XLogP3.59
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59136044) is N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCF)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12.
What is the InChIKey of N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is SWHAFIZFUCVHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S3/c23-6-7-27(33(28,29)20-5-2-12-31-20)19-4-1-3-16-13-18(25-21(16)19)22-24-14-17(32-22)15-26-8-10-30-11-9-26/h1-5,12-13,17,25H,6-11,14-15H2.
What are the key properties of N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 508.67 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59136044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).