N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide

C23H27N3O3S — CID 58694504

IUPACN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
SMILESCCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H27N3O3S/c1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3/h7-12,14,16,25H,5-6,13H2,1-4H3
InChIKeyHGAPHIRHWOMIQN-UHFFFAOYSA-N
MW425.55 g/mol
LogP5.14
Rot. Bonds8

About N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide (PubChem CID 58694504) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
PubChem CID58694504
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
SMILESCCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H27N3O3S/c1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3/h7-12,14,16,25H,5-6,13H2,1-4H3
InChIKeyHGAPHIRHWOMIQN-UHFFFAOYSA-N
XLogP5.14
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 143184513
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
CID 58694205
N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
CID 58694414
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
CID 162035153
N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
CID 70844134
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide (CID 58694504) is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide is CCCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
The InChIKey is HGAPHIRHWOMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-5-6-13-26-22-14-19(29-4)11-12-20(22)21(15-24)23(26)17-7-9-18(10-8-17)25-30(27,28)16(2)3/h7-12,14,16,25H,5-6,13H2,1-4H3.
What are the key properties of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 58694504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).