N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C17H27N3O5S — CID 119575169

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)(CN)C2CC2)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-17(11-18,12-4-5-12)20-16(21)8-9-19-26(22,23)13-6-7-14(24-2)15(10-13)25-3/h6-7,10,12,19H,4-5,8-9,11,18H2,1-3H3,(H,20,21)
InChIKeyGSOSMJBFHIIXIP-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.62
Rot. Bonds10

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 119575169) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID119575169
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)(CN)C2CC2)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-17(11-18,12-4-5-12)20-16(21)8-9-19-26(22,23)13-6-7-14(24-2)15(10-13)25-3/h6-7,10,12,19H,4-5,8-9,11,18H2,1-3H3,(H,20,21)
InChIKeyGSOSMJBFHIIXIP-UHFFFAOYSA-N
XLogP0.62
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119575166
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119573316
N-[(2S)-1-aminopropan-2-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 120509148
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 119572773
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558527
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 110369999
N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
CID 9165497
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119573275

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 119575169) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NC(C)(CN)C2CC2)cc1OC.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is GSOSMJBFHIIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-17(11-18,12-4-5-12)20-16(21)8-9-19-26(22,23)13-6-7-14(24-2)15(10-13)25-3/h6-7,10,12,19H,4-5,8-9,11,18H2,1-3H3,(H,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 385.49 g/mol, XLogP of 0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).