N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

C21H30N4O4S2 — CID 53138770

IUPACN-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NC3CCCCCC3)cn2C)sc1C(=O)N1CCOCC1
InChIInChI=1S/C21H30N4O4S2/c1-15-19(21(26)25-9-11-29-12-10-25)30-20(22-15)18-13-17(14-24(18)2)31(27,28)23-16-7-5-3-4-6-8-16/h13-14,16,23H,3-12H2,1-2H3
InChIKeyLWWSJHNTKZSMSX-UHFFFAOYSA-N
MW466.63 g/mol
LogP2.93
Rot. Bonds5

About N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138770) has the molecular formula C21H30N4O4S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
PubChem CID53138770
Molecular FormulaC21H30N4O4S2
Molecular Weight466.63 g/mol
Exact Mass466.17
IUPAC NameN-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NC3CCCCCC3)cn2C)sc1C(=O)N1CCOCC1
InChIInChI=1S/C21H30N4O4S2/c1-15-19(21(26)25-9-11-29-12-10-25)30-20(22-15)18-13-17(14-24(18)2)31(27,28)23-16-7-5-3-4-6-8-16/h13-14,16,23H,3-12H2,1-2H3
InChIKeyLWWSJHNTKZSMSX-UHFFFAOYSA-N
XLogP2.93
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138642
N-(2,5-dimethylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138789
N-(3-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138787
N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138773
N-(2-methoxy-5-methylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138816
N-[(2R)-butan-2-yl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 95094193
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138748
1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide
CID 95094206
1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138644
N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138717
N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138676
N-(5-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138700

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138770) is N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NC3CCCCCC3)cn2C)sc1C(=O)N1CCOCC1.
What is the InChIKey of N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The InChIKey is LWWSJHNTKZSMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S2/c1-15-19(21(26)25-9-11-29-12-10-25)30-20(22-15)18-13-17(14-24(18)2)31(27,28)23-16-7-5-3-4-6-8-16/h13-14,16,23H,3-12H2,1-2H3.
What are the key properties of N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 466.63 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).