N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide

C23H29NO5S — CID 56679124

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C(C)C)cc1OC
InChIInChI=1S/C23H29NO5S/c1-16(2)24(30(25,26)19-8-10-21(27-5)22(14-19)28-6)15-17-7-9-20-18(13-17)11-12-23(3,4)29-20/h7-14,16H,15H2,1-6H3
InChIKeyYTQXBXMFEBDFCP-UHFFFAOYSA-N
MW431.55 g/mol
LogP4.49
Rot. Bonds7

About N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 56679124) has the molecular formula C23H29NO5S and a molecular weight of 431.55 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID56679124
Molecular FormulaC23H29NO5S
Molecular Weight431.55 g/mol
Exact Mass431.18
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C(C)C)cc1OC
InChIInChI=1S/C23H29NO5S/c1-16(2)24(30(25,26)19-8-10-21(27-5)22(14-19)28-6)15-17-7-9-20-18(13-17)11-12-23(3,4)29-20/h7-14,16H,15H2,1-6H3
InChIKeyYTQXBXMFEBDFCP-UHFFFAOYSA-N
XLogP4.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide (CID 56679124) is N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C(C)C)cc1OC.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is YTQXBXMFEBDFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5S/c1-16(2)24(30(25,26)19-8-10-21(27-5)22(14-19)28-6)15-17-7-9-20-18(13-17)11-12-23(3,4)29-20/h7-14,16H,15H2,1-6H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 431.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56679124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).