1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide

C24H30N4O3S2 — CID 95094206

IUPAC1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NC[C@H](C)c3ccccc3)cn2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C24H30N4O3S2/c1-17(19-10-6-4-7-11-19)15-25-33(30,31)20-14-21(27(3)16-20)23-26-18(2)22(32-23)24(29)28-12-8-5-9-13-28/h4,6-7,10-11,14,16-17,25H,5,8-9,12-13,15H2,1-3H3/t17-/m0/s1
InChIKeyYIEVGPIYOWYETL-KRWDZBQOSA-N
MW486.66 g/mol
LogP4.17
Rot. Bonds7

About 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide

1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide (PubChem CID 95094206) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide
PubChem CID95094206
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC Name1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NC[C@H](C)c3ccccc3)cn2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C24H30N4O3S2/c1-17(19-10-6-4-7-11-19)15-25-33(30,31)20-14-21(27(3)16-20)23-26-18(2)22(32-23)24(29)28-12-8-5-9-13-28/h4,6-7,10-11,14,16-17,25H,5,8-9,12-13,15H2,1-3H3/t17-/m0/s1
InChIKeyYIEVGPIYOWYETL-KRWDZBQOSA-N
XLogP4.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide (CID 95094206) is 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NC[C@H](C)c3ccccc3)cn2C)sc1C(=O)N1CCCCC1.
What is the InChIKey of 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide?
The InChIKey is YIEVGPIYOWYETL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-17(19-10-6-4-7-11-19)15-25-33(30,31)20-14-21(27(3)16-20)23-26-18(2)22(32-23)24(29)28-12-8-5-9-13-28/h4,6-7,10-11,14,16-17,25H,5,8-9,12-13,15H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide?
1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide has a molecular weight of 486.66 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 95094206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).