N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C25H33N3O2S3 — CID 11978271

IUPACN-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3CN[C@@H](C)CC3CCCCCC3)s2)cs1
InChIInChI=1S/C25H33N3O2S3/c1-18(15-20-9-5-3-4-6-10-20)26-16-21-11-7-8-12-22(21)28-33(29,30)25-14-13-24(32-25)23-17-31-19(2)27-23/h7-8,11-14,17-18,20,26,28H,3-6,9-10,15-16H2,1-2H3/t18-/m0/s1
InChIKeyXNFAMKSVFUDAQZ-SFHVURJKSA-N
MW503.76 g/mol
LogP6.82
Rot. Bonds9

About N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 11978271) has the molecular formula C25H33N3O2S3 and a molecular weight of 503.76 g/mol. Its IUPAC name is N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID11978271
Molecular FormulaC25H33N3O2S3
Molecular Weight503.76 g/mol
Exact Mass503.17
IUPAC NameN-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3CN[C@@H](C)CC3CCCCCC3)s2)cs1
InChIInChI=1S/C25H33N3O2S3/c1-18(15-20-9-5-3-4-6-10-20)26-16-21-11-7-8-12-22(21)28-33(29,30)25-14-13-24(32-25)23-17-31-19(2)27-23/h7-8,11-14,17-18,20,26,28H,3-6,9-10,15-16H2,1-2H3/t18-/m0/s1
InChIKeyXNFAMKSVFUDAQZ-SFHVURJKSA-N
XLogP6.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.76
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 11978271) is N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3CN[C@@H](C)CC3CCCCCC3)s2)cs1.
What is the InChIKey of N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is XNFAMKSVFUDAQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H33N3O2S3/c1-18(15-20-9-5-3-4-6-10-20)26-16-21-11-7-8-12-22(21)28-33(29,30)25-14-13-24(32-25)23-17-31-19(2)27-23/h7-8,11-14,17-18,20,26,28H,3-6,9-10,15-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 503.76 g/mol, XLogP of 6.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 11978271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).